| SpectraBase Compound ID | CNSNdBi86Iu |
|---|---|
| InChI | InChI=1S/C6H7N3S/c1-3-4-8-6(10-2)9-5-7/h1H,4H2,2H3,(H,8,9) |
| InChIKey | AOQBTOKIEVBYSK-UHFFFAOYSA-N |
| Mol Weight | 153.2 g/mol |
| Molecular Formula | C6H7N3S |
| Exact Mass | 153.036068 g/mol |
Raman Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DtF89ASj7qh |
|---|---|
| Name | 1-Cyano-2-methyl-3-(2-propynyl)-2-thiopseudourea |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 153.036068411 u |
| Formula | C6H7N3S |
| InChI | InChI=1S/C6H7N3S/c1-3-4-8-6(10-2)9-5-7/h1H,4H2,2H3,(H,8,9) |
| InChIKey | AOQBTOKIEVBYSK-UHFFFAOYSA-N |
| SMILES | N(CC#C)\C(=N\C#N)SC |
| Spectrum/Structure Validation Score (Raman) | 0.746152 |