| SpectraBase Compound ID | EbAKY5ziKoh |
|---|---|
| InChI | InChI=1S/C11H14OS/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3 |
| InChIKey | KXXZPIFZTPWOJJ-UHFFFAOYSA-N |
| Mol Weight | 194.29 g/mol |
| Molecular Formula | C11H14OS |
| Exact Mass | 194.076536 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GCnBMbUE8Z9 |
|---|---|
| Name | Thiobenzoic acid, S-butyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.076536244 u |
| Formula | C11H14OS |
| InChI | InChI=1S/C11H14OS/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3 |
| InChIKey | KXXZPIFZTPWOJJ-UHFFFAOYSA-N |
| Molecular Weight | 194.292 g/mol |
| SMILES | C=1C(=CC=CC1)C(SCCCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.957701 |