| SpectraBase Compound ID | A7Xffr31LT1 |
|---|---|
| InChI | InChI=1S/C15H22O2S/c1-2-3-4-5-9-12-17-15(16)13-18-14-10-7-6-8-11-14/h6-8,10-11H,2-5,9,12-13H2,1H3 |
| InChIKey | CGQZJXYQJQDCGP-UHFFFAOYSA-N |
| Mol Weight | 266.4 g/mol |
| Molecular Formula | C15H22O2S |
| Exact Mass | 266.134051 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FqN09gY8fhT |
|---|---|
| Name | (Phenylthio)acetic acid, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.134051120 u |
| Formula | C15H22O2S |
| InChI | InChI=1S/C15H22O2S/c1-2-3-4-5-9-12-17-15(16)13-18-14-10-7-6-8-11-14/h6-8,10-11H,2-5,9,12-13H2,1H3 |
| InChIKey | CGQZJXYQJQDCGP-UHFFFAOYSA-N |
| Molecular Weight | 266.399 g/mol |
| SMILES | C1=CC=CC(=C1)SCC(OCCCCCCC)=O |