| SpectraBase Spectrum ID |
B4CcewWeTnk |
| Name |
(E)Methyl 3-(Phenylthio)-4-(3-oxocyclohexyl)-4-(methoxycarbonyl)but-2-enoate |
| Alternate Name(s) |
Dimethyl (2E)-4-(3-oxocyclohexyl)-3-(phenylsulfanyl)-2-pentenedioate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H22O5S |
| InChI |
InChI=1S/C19H22O5S/c1-23-17(21)12-16(25-15-9-4-3-5-10-15)18(19(22)24-2)13-7-6-8-14(20)11-13/h3-5,9-10,12-13,18H,6-8,11H2,1-2H3/b16-12+ |
| InChIKey |
UHBPBKSLGCYFLR-FOWTUZBSSA-N |
| Molecular Weight |
362.440 g/mol |
| SMILES |
C(\C=C/(C(C1CC(=O)CCC1)C(=O)OC)Sc1ccccc1)(=O)OC |
| SPLASH |
splash10-08fu-7933000000-709d5290d581c0e0ceca |
| Source of Spectrum |
J-58-6515-10 |
| Wiley ID |
1349487 |
