| SpectraBase Compound ID | 8m8wgPorjKk |
|---|---|
| InChI | InChI=1S/C7H7N3OS/c1-4-9-6(11)5(3-8)7(10-4)12-2/h1-2H3,(H,9,10,11) |
| InChIKey | SSWJKGVCZRWCAF-UHFFFAOYSA-N |
| Mol Weight | 181.21 g/mol |
| Molecular Formula | C7H7N3OS |
| Exact Mass | 181.030983 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | CzIeTcSxQ1F |
|---|---|
| Name | Pyrimidine-5-carbonitrile, 3,4-dihydro-2-methyl-6-methylthio-4-oxo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.030983030 u |
| Formula | C7H7N3OS |
| InChI | InChI=1S/C7H7N3OS/c1-4-9-6(11)5(3-8)7(10-4)12-2/h1-2H3,(H,9,10,11) |
| InChIKey | SSWJKGVCZRWCAF-UHFFFAOYSA-N |
| SMILES | C1(=C(N=C(NC1=O)C)SC)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.914599 |