| SpectraBase Compound ID | 68frDjiLTDr |
|---|---|
| InChI | InChI=1S/C12H14O2S/c1-9-4-6-11(7-5-9)15-10(2)8-12(13)14-3/h4-8H,1-3H3/b10-8+ |
| InChIKey | VEVCTKIIZHKBQR-CSKARUKUSA-N |
| Mol Weight | 222.3 g/mol |
| Molecular Formula | C12H14O2S |
| Exact Mass | 222.071451 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3S8YmpmZJHU |
|---|---|
| Name | 3-(4-Methylphenylsulfanyl)but-2-enoic acid methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H14O2S |
| InChI | InChI=1S/C12H14O2S/c1-9-4-6-11(7-5-9)15-10(2)8-12(13)14-3/h4-8H,1-3H3/b10-8+ |
| InChIKey | VEVCTKIIZHKBQR-CSKARUKUSA-N |
| Molecular Weight | 222.302 g/mol |
| SMILES | c1(S\C(=C\C(=O)OC)C)ccc(cc1)C |
| SPLASH | splash10-03kc-3920000000-c5a624012ab02d931942 |
| Source of Spectrum | F4-41-299-2e |
| Wiley ID | 1671774 |