| SpectraBase Spectrum ID |
20ik4czMlyc |
| Name |
4-Heptenoic acid, 5-chloro-4-(phenylsulfinyl)-, methyl ester, (E)- |
| CAS Registry Number |
109574-07-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H17ClO3S |
| InChI |
InChI=1S/C14H17ClO3S/c1-3-12(15)13(9-10-14(16)18-2)19(17)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3/b13-12+ |
| InChIKey |
PDKLVGKNDIHXHK-OUKQBFOZSA-N |
| Molecular Weight |
300.800 g/mol |
| SMILES |
c1(S(\C(=C/(Cl)CC)CCC(=O)OC)=O)ccccc1 |
| SPLASH |
splash10-004i-0970000000-172922872bde25506936 |
| Source of Spectrum |
KC-1986-2002-0 |
| Synonyms |
(E)-Methyl 5-chloro-4-phenylsulphinylhept-4-enoate
Methyl (4E)-5-chloro-4-(phenylsulfinyl)-4-heptenoate |
| Wiley ID |
1302526 |
