| SpectraBase Compound ID | DRskowB2XO9 |
|---|---|
| InChI | InChI=1S/C24H40O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-26-24(25)22-27-23-19-16-15-17-20-23/h15-17,19-20H,2-14,18,21-22H2,1H3 |
| InChIKey | XUTDABKADWXICQ-UHFFFAOYSA-N |
| Mol Weight | 392.6 g/mol |
| Molecular Formula | C24H40O2S |
| Exact Mass | 392.274902 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A8tNuEPdk16 |
|---|---|
| Name | (Phenylthio)acetic acid, hexadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 392.274901700 u |
| Formula | C24H40O2S |
| InChI | InChI=1S/C24H40O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-26-24(25)22-27-23-19-16-15-17-20-23/h15-17,19-20H,2-14,18,21-22H2,1H3 |
| InChIKey | XUTDABKADWXICQ-UHFFFAOYSA-N |
| Molecular Weight | 392.642 g/mol |
| SMILES | C1=CC=C(C=C1)SCC(OCCCCCCCCCCCCCCCC)=O |