| SpectraBase Compound ID | 5Ja2erURMYD |
|---|---|
| InChI | InChI=1S/C13H16O2S/c1-4-11(9-13(14)15-3)16-12-7-5-10(2)6-8-12/h5-9H,4H2,1-3H3/b11-9+ |
| InChIKey | RXPFDXIEYKHMNN-PKNBQFBNSA-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 | GyIvOOLaKoE |
|---|---|
| Name | 3-(4-Tolylsulfanyl)pent-2-enoic acid methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H16O2S |
| InChI | InChI=1S/C13H16O2S/c1-4-11(9-13(14)15-3)16-12-7-5-10(2)6-8-12/h5-9H,4H2,1-3H3/b11-9+ |
| InChIKey | RXPFDXIEYKHMNN-PKNBQFBNSA-N |
| Molecular Weight | 236.329 g/mol |
| SMILES | c1(S\C(=C\C(=O)OC)CC)ccc(cc1)C |
| SPLASH | splash10-03du-4920000000-9cc135dbd2d3c3f33397 |
| Source of Spectrum | F4-41-299-2g |
| Wiley ID | 1671772 |