| SpectraBase Compound ID | 76VvShmp05M |
|---|---|
| InChI | InChI=1S/C12H16O2S/c1-2-3-6-9-15-11-8-5-4-7-10(11)12(13)14/h4-5,7-8H,2-3,6,9H2,1H3,(H,13,14) |
| InChIKey | TUEMSOTZKIKVEU-UHFFFAOYSA-N |
| Mol Weight | 224.32 g/mol |
| Molecular Formula | C12H16O2S |
| Exact Mass | 224.087101 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CV42aMDCOYN |
|---|---|
| Name | 2-(pentylthio)benzoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H16O2S |
| InChI | InChI=1S/C12H16O2S/c1-2-3-6-9-15-11-8-5-4-7-10(11)12(13)14/h4-5,7-8H,2-3,6,9H2,1H3,(H,13,14) |
| InChIKey | TUEMSOTZKIKVEU-UHFFFAOYSA-N |
| Molecular Weight | 224.318 g/mol |
| SMILES | OC(c1c(SCCCCC)cccc1)=O |
| SPLASH | splash10-000i-4920000000-b40266d0c676a9affddc |
| Source of Spectrum | JX-2015-0-626 |
| Synonyms | 2-Pentylsulfanylbenzoic acid |
| Wiley ID | 1720544 |