| SpectraBase Compound ID | 7rNVCb59EHP |
|---|---|
| InChI | InChI=1S/C6H13NOS/c1-5(2)9-6(8)7(3)4/h5H,1-4H3 |
| InChIKey | JDNKRTPULFSUSV-UHFFFAOYSA-N |
| Mol Weight | 147.24 g/mol |
| Molecular Formula | C6H13NOS |
| Exact Mass | 147.071785 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KgxJS3rK8SY |
|---|---|
| Name | S-Isopropyl dimethylthiocarbamate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 147.071785216 u |
| Formula | C6H13NOS |
| InChI | InChI=1S/C6H13NOS/c1-5(2)9-6(8)7(3)4/h5H,1-4H3 |
| InChIKey | JDNKRTPULFSUSV-UHFFFAOYSA-N |
| Molecular Weight | 147.236 g/mol |
| SMILES | CC(SC(N(C)C)=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.966217 |