| SpectraBase Spectrum ID |
J1RDCEiswNQ |
| Name |
2-Butenoic acid, 4-(2,2-dimethyl-5-oxocyclohexyl)-3-(phenylthio)-, methyl ester, (E)- |
| CAS Registry Number |
105090-09-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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)Sc1ccccc1)C1C(CCC(C1)=O)(C)C |
| SPLASH |
splash10-0a59-9526000000-aec10fa0a3af2c582107 |
| Source of Spectrum |
J-52-117-0 |
| Synonyms |
E-methyl 3-phenylthio-4-(3'-oxo-6',6'-dimethylcyclohexyl)-but-2-enoate
Methyl (2E)-4-(2,2-dimethyl-5-oxocyclohexyl)-3-(phenylsulfanyl)-2-butenoate
Methyl 3-(phenylthio)-4-(3-oxo-6,6-dimethylcyclohexyl)-but-2-enoate (E) |
| Wiley ID |
1329456 |
