For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Dimethyl 2-(2-(Phenylthio)-5-phenyl-2,4-pentadienyl)adipate
SpectraBase Compound ID 168kFM3Es9k
InChI InChI=1S/C25H28O4S/c1-28-24(26)18-10-14-21(25(27)29-2)19-23(30-22-15-7-4-8-16-22)17-9-13-20-11-5-3-6-12-20/h3-9,11-13,15-17,21H,10,14,18-19H2,1-2H3/b13-9+,23-17-
InChIKey ZCYKIPJDGHBUCY-XFQQPAJCSA-N
Mol Weight 424.56 g/mol
Molecular Formula C25H28O4S
Exact Mass 424.170831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID GMDNx0kylFQ
Name Dimethyl 2-(2-(Phenylthio)-5-phenyl-2,4-pentadienyl)adipate
CAS Registry Number 85335-90-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28O4S
InChI InChI=1S/C25H28O4S/c1-28-24(26)18-10-14-21(25(27)29-2)19-23(30-22-15-7-4-8-16-22)17-9-13-20-11-5-3-6-12-20/h3-9,11-13,15-17,21H,10,14,18-19H2,1-2H3/b13-9+,23-17-
InChIKey ZCYKIPJDGHBUCY-XFQQPAJCSA-N
Molecular Weight 424.555 g/mol
SMILES C(C(C\C(Sc1ccccc1)=C\C=C\c1ccccc1)CCCC(=O)OC)(=O)OC
SPLASH splash10-0006-4900000000-c8a88e9ba7ae3f154f4d
Source of Spectrum J-50-4262-47
Synonyms Dimethyl 2-[(2Z,4E)-5-phenyl-2-(phenylsulfanyl)-2,4-pentadienyl]hexanedioate
Wiley ID 1379347