| SpectraBase Compound ID | 2SaBGhXAkSX |
|---|---|
| InChI | InChI=1S/C16H24O2S/c1-2-3-4-5-6-10-13-18-16(17)14-19-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3 |
| InChIKey | QGVZNJTVKALZLR-UHFFFAOYSA-N |
| Mol Weight | 280.43 g/mol |
| Molecular Formula | C16H24O2S |
| Exact Mass | 280.149701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7AHqrhiJtrS |
|---|---|
| Name | (Phenylthio)acetic acid, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.149701185 u |
| Formula | C16H24O2S |
| InChI | InChI=1S/C16H24O2S/c1-2-3-4-5-6-10-13-18-16(17)14-19-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3 |
| InChIKey | QGVZNJTVKALZLR-UHFFFAOYSA-N |
| SMILES | C1=CC=C(C=C1)SCC(OCCCCCCCC)=O |