| SpectraBase Compound ID | KnaTI4HwV4Z |
|---|---|
| InChI | InChI=1S/C15H22OS/c1-2-3-4-5-6-10-13-17-15(16)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3 |
| InChIKey | RBWOKKSOBWYZQH-UHFFFAOYSA-N |
| Mol Weight | 250.4 g/mol |
| Molecular Formula | C15H22OS |
| Exact Mass | 250.139137 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HK4NMppa6tu |
|---|---|
| Name | Thiobenzoic acid, S-octyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.139136501 u |
| Formula | C15H22OS |
| InChI | InChI=1S/C15H22OS/c1-2-3-4-5-6-10-13-17-15(16)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3 |
| InChIKey | RBWOKKSOBWYZQH-UHFFFAOYSA-N |
| Molecular Weight | 250.400 g/mol |
| SMILES | C=1C=CC=CC1C(=O)SCCCCCCCC |
| Spectrum/Structure Validation Score (Raman) | 0.987781 |