| SpectraBase Compound ID | 7y64HX7IKJj |
|---|---|
| InChI | InChI=1S/C17H26O2S/c1-3-5-7-12-19-17(18)15-10-9-11-16(14-15)20-13-8-6-4-2/h9-11,14H,3-8,12-13H2,1-2H3 |
| InChIKey | HMLUGQOLHYPJHO-UHFFFAOYSA-N |
| Mol Weight | 294.45 g/mol |
| Molecular Formula | C17H26O2S |
| Exact Mass | 294.165351 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GhDJ5VwiEEr |
|---|---|
| Name | Benzoic acid, 3-(pentylthio)-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.165351249 u |
| Formula | C17H26O2S |
| InChI | InChI=1S/C17H26O2S/c1-3-5-7-12-19-17(18)15-10-9-11-16(14-15)20-13-8-6-4-2/h9-11,14H,3-8,12-13H2,1-2H3 |
| InChIKey | HMLUGQOLHYPJHO-UHFFFAOYSA-N |
| Molecular Weight | 294.453 g/mol |
| SMILES | C1=CC=C(C=C1C(=O)OCCCCC)SCCCCC |