| SpectraBase Spectrum ID |
7tei3mJVk9w |
| Name |
2-Butenoic acid, 4-(2,2-dimethyl-5-oxocyclohexyl)-3-(phenylthio)-, methyl ester, (E)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.144615804 u |
| Formula |
C19H24O3S |
| InChI |
InChI=1S/C19H24O3S/c1-19(2)10-9-15(20)11-14(19)12-17(13-18(21)22-3)23-16-7-5-4-6-8-16/h4-8,13-14H,9-12H2,1-3H3/b17-13+ |
| InChIKey |
XUXQTRKJSAEUMH-GHRIWEEISA-N |
| Molecular Weight |
332.458 g/mol |
| SMILES |
C(\C(=C/C(=O)OC)SC1=CC=CC=C1)C1C(CCC(C1)=O)(C)C |
