| SpectraBase Compound ID | FA3S9dFnAzf |
|---|---|
| InChI | InChI=1S/C13H16O2S/c1-3-7-12(10-13(14)15-2)16-11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3/b12-10- |
| InChIKey | SXCDTJDCGNHZCE-BENRWUELSA-N |
| Mol Weight | 236.33 g/mol |
| Molecular Formula | C13H16O2S |
| Exact Mass | 236.087101 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1bTMrCx7qx8 |
|---|---|
| Name | 3-(Phenylsulfanyl)hex-2-enoic acid methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H16O2S |
| InChI | InChI=1S/C13H16O2S/c1-3-7-12(10-13(14)15-2)16-11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3/b12-10- |
| InChIKey | SXCDTJDCGNHZCE-BENRWUELSA-N |
| Molecular Weight | 236.329 g/mol |
| SMILES | c1(S\C(=C/C(=O)OC)CCC)ccccc1 |
| SPLASH | splash10-03du-3920000000-723e46b13c6f01c25e6f |
| Source of Spectrum | F4-41-300-2j |
| Wiley ID | 1671770 |