| SpectraBase Compound ID | 90fAdQj4qC2 |
|---|---|
| InChI | InChI=1S/C22H36O2S/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-24-22(23)20-25-21-17-14-13-15-18-21/h13-15,17-18H,2-12,16,19-20H2,1H3 |
| InChIKey | CSISNRHHVYWFNT-UHFFFAOYSA-N |
| Mol Weight | 364.6 g/mol |
| Molecular Formula | C22H36O2S |
| Exact Mass | 364.243602 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FTJPCMTju8S |
|---|---|
| Name | (Phenylthio)acetic acid, tetradecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.243601571 u |
| Formula | C22H36O2S |
| InChI | InChI=1S/C22H36O2S/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-24-22(23)20-25-21-17-14-13-15-18-21/h13-15,17-18H,2-12,16,19-20H2,1H3 |
| InChIKey | CSISNRHHVYWFNT-UHFFFAOYSA-N |
| Molecular Weight | 364.588 g/mol |
| SMILES | C1=CC=C(C=C1)SCC(OCCCCCCCCCCCCCC)=O |