| SpectraBase Compound ID | 6lMI1YBmHBK |
|---|---|
| InChI | InChI=1S/C7H14N2S/c1-6(2)9-5-3-4-8-7(9)10/h6H,3-5H2,1-2H3,(H,8,10) |
| InChIKey | ODTWXCKLJDBJOB-UHFFFAOYSA-N |
| Mol Weight | 158.26 g/mol |
| Molecular Formula | C7H14N2S |
| Exact Mass | 158.08777 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | LJQlwig1QSE |
|---|---|
| Name | 1-Isopropyltetrahydro-2(1H)-pyrimidinethione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.087769633 u |
| Formula | C7H14N2S |
| InChI | InChI=1S/C7H14N2S/c1-6(2)9-5-3-4-8-7(9)10/h6H,3-5H2,1-2H3,(H,8,10) |
| InChIKey | ODTWXCKLJDBJOB-UHFFFAOYSA-N |
| SMILES | N1CCCN(C1=S)C(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.992386 |