| SpectraBase Spectrum ID |
2mFY0jLOkuz |
| Name |
2-Butenoic acid, 4-(2-methyl-3-oxocyclohexyl)-3-(phenylthio)-, methyl ester |
| CAS Registry Number |
105090-07-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H22O3S |
| InChI |
InChI=1S/C18H22O3S/c1-13-14(7-6-10-17(13)19)11-16(12-18(20)21-2)22-15-8-4-3-5-9-15/h3-5,8-9,12-14H,6-7,10-11H2,1-2H3/b16-12+ |
| InChIKey |
RBUVHRCSWSUGFU-FOWTUZBSSA-N |
| Molecular Weight |
318.431 g/mol |
| SMILES |
C(\C(=C/C(=O)OC)Sc1ccccc1)C1C(C(=O)CCC1)C |
| SPLASH |
splash10-001i-5921000000-0c446d946bc727eea79b |
| Source of Spectrum |
J-52-116-10 |
| Synonyms |
Methyl 3-(phenylthio)-4-(3-oxo-2-methylcyclohexyl)but-2-enoate (Z)
Methyl (2E)-4-(2-methyl-3-oxocyclohexyl)-3-(phenylsulfanyl)-2-butenoate
Methyl 3-(phenylthio)-4-(3-oxo-2-methylcyclohexyl)but-2-enoate (E) |
| Wiley ID |
1318496 |
