NMR Prediction
Our NMR prediction in CT is based on a database of > 100 000 compounds, is extremely fast and covers all main NMR nuclei.
About CT
Who?
CT is developed by professionals with unique experience in computational NMR gained at their former company PERCH Solutions now at NMR Solutions.
Read moreWhat?
CT provides the most accurate and comprehensive interpretation of 1D NMR spectra in automation and is accessible to everybody as an online service.
Read moreWhy?
CT enables sharing and reusing instrument independent NMR information including a self-improving learning process and offers related community efforts.
Read moreThe Unique Interpretation Tool
Cosmic Truth (CT) provides a complete interpretation of NMR dspectra by utilizing the NMR theory.
Input
Requires a processed 1D NMR spectrum (JCAMP) and one or multiple molecular structures as MOL, SDF, SMILES, InChIKey or ORCA output.
Process
Produces an optimzed 3D structure, predicts it’s NMR paramaters and optimizes them to fit the given NMR spectrum.
Output
Provides accurate chemical shifts, all relevant coupling constants and calculates a spectrum resembling the experimental one in all detail.
Benefits
Features an outstanding user interface, a high degree of automation and specific metrics for the quality of the NMR interpretation.
Our Services
Complete NMR analysis
CT extracts accurate chemical shifts and all relevant coupling constants from 1D NMR spectra and provides metrics for its success.
Quantification
Simultaneously CT directly calculates the molar ratio and purity of all components in the analysis using two different algorithms.
Automation
Our tools provide a high degree of automation, scripting capabilities, an applications interface and a stunning user interface for interactive work.
Customization
We offer individually customized and also new solutions for the application of our tools for inhouse use and even rebranding for resellers.
Support
We provide comprehensive support including a built in knowledgebase and ticketing system and also support for individual problems and solutions.
Our Works
noBS Consortium
Consists of academic and public/private partners that contribute unique expertise and resources…
Achanta et al.
Pharmaceutical analysis by NMR can accommodate strict impurity thresholds - The case of choline
Achanta et al.
Plain 1H nuclear magnetic resonance analysis streamlines the quality control of antiviral favipiravir…
Bhavaraju et al.
NMR-Based Quantum Mechanical Analysis Builds Trust and Orthogonality in Structural Analysis…
Achanta et al.
Quantum mechanical NMR full spin analysis in pharmaceutical identity testing and quality control
Our Plans
Academic
Free
- Automatic Data Post Processing
- Multinuclear NMR Prediction
- Personal Database
- 5 Analyses/Month
- Standard Task Priority
- Help Desk
Small project
10-100 Analyses
- Automatic Data Post Processing
- Multinuclear NMR Prediction
- Private Database
- 7-9 € per Analysis
- Higher Task Priority
- Technical Support
Medium project
100-1000 Analyses
- Automatic Data Post Processing
- Multinuclear NMR Prediction
- Private Database
- 5-7 € per Analysis
- Highest Task Priority
- Expert Support
Self Hosted
Contact Us
- Automatic Data Post Processing
- Multinuclear NMR Prediction
- Inhouse Database
- Min. 1000 Analyses/Year
- Virtual Server incl. Automation
- 24/7 Expert Support
Latest Post
The answer to Andrii K.’s very nice ‘Multiplet of the week’ comes from CT in full automation: H4 couples to the two pro-chiral H3 and the methyl group with three rather different coupling constants. Thus the correct annotation would be ‘dqd’ rather than ‘dp’. The 4J-couplings into the aromatic ring are predicted and fitted by CT but not resolved in the spectrum even after applying Gaussian resolutions enhancement.
Read moreContact Us
Get a free account
Please give us your full name and make sure that your Email address is consistent with your Affiliation.
Kuopio, Finland
Email: contact[at]nmrsolutions.io