| SpectraBase Spectrum ID |
KW3XA6xrtW0 |
| Name |
Methyl 4-(1-hydroxy-1-cyclohexyl)-3-(phenylthio)but-2-enoate |
| Alternate Name(s) |
Methyl (2Z)-4-(1-hydroxycyclohexyl)-3-(phenylsulfanyl)-2-butenoate |
| CAS Registry Number |
102736-31-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H22O3S |
| InChI |
InChI=1S/C17H22O3S/c1-20-16(18)12-15(21-14-8-4-2-5-9-14)13-17(19)10-6-3-7-11-17/h2,4-5,8-9,12,19H,3,6-7,10-11,13H2,1H3/b15-12- |
| InChIKey |
MYUYRWBYBOQTGC-QINSGFPZSA-N |
| Molecular Weight |
306.420 g/mol |
| SMILES |
OC1(C\C(=C\C(=O)OC)Sc2ccccc2)CCCCC1 |
| SPLASH |
splash10-0a4j-3940000000-18ec292340a61f8686d4 |
| Source of Spectrum |
J-51-3015-6 |
| Wiley ID |
1308041 |
