| SpectraBase Spectrum ID |
BAvS6gGDyNK |
| Name |
2-Butenoic acid, 4-(2,2-dimethyl-5-oxocyclohexyl)-3-(phenylthio)-, methyl ester, (Z)- |
| CAS Registry Number |
105090-10-6 |
| 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-LGMDPLHJSA-N |
| Molecular Weight |
332.458 g/mol |
| SMILES |
C(\C(=C\C(=O)OC)Sc1ccccc1)C1C(CCC(C1)=O)(C)C |
| SPLASH |
splash10-06w9-6796000000-1ef3e98fb615f3874006 |
| Source of Spectrum |
I-68-1175-11 |
| Synonyms |
Methyl (2Z)-4-(2,2-dimethyl-5-oxocyclohexyl)-3-(phenylsulfanyl)-2-butenoate
Methyl 3-(phenylthio)-4-(3-oxo-6,6-dimethylcyclohexyl)-but-2-enoate
Z-methyl 3-phenylthio-4-(3'-oxo-6',6'-dimethylcyclohexyl)-but-2-enoate |
| Wiley ID |
1329457 |
