| SpectraBase Compound ID | 8qGi9aiPpEv |
|---|---|
| InChI | InChI=1S/C7H16OS/c1-3-4-7(9-2)5-6-8/h7-8H,3-6H2,1-2H3 |
| InChIKey | JSASXSHMJYRPCM-UHFFFAOYSA-N |
| Mol Weight | 148.26 g/mol |
| Molecular Formula | C7H16OS |
| Exact Mass | 148.092186 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | LD6hELBXYn7 |
|---|---|
| Name | 3-(Methylthio)-1-hexanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 148.092186308 u |
| Formula | C7H16OS |
| InChI | InChI=1S/C7H16OS/c1-3-4-7(9-2)5-6-8/h7-8H,3-6H2,1-2H3 |
| InChIKey | JSASXSHMJYRPCM-UHFFFAOYSA-N |
| Molecular Weight | 148.264 g/mol |
| SMILES | CSC(CCO)CCC |
| Spectrum/Structure Validation Score (Raman) | 0.894442 |