SpectraBase Spectrum ID |
7uuFHmWXvB0 |
Name |
Methyl 3-(phenylthio)-4-(3-oxocyclohexyl)but-2-enoate (Z) |
CAS Registry Number |
105090-04-8 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C17H20O3S |
InChI |
InChI=1S/C17H20O3S/c1-20-17(19)12-16(21-15-8-3-2-4-9-15)11-13-6-5-7-14(18)10-13/h2-4,8-9,12-13H,5-7,10-11H2,1H3/b16-12- |
InChIKey |
GSQPNLXOJVNOAL-VBKFSLOCSA-N |
Molecular Weight |
304.404 g/mol |
SMILES |
c1(S\C(=C/C(=O)OC)CC2CC(=O)CCC2)ccccc1 |
SPLASH |
splash10-03ec-4932000000-6cb29ef5c2697a874602 |
Source of Spectrum |
J-52-116-0 |
Synonyms |
Methyl (2Z)-4-(3-oxocyclohexyl)-3-(phenylsulfanyl)-2-butenoate |
Wiley ID |
1306434 |