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

*Links on SpectraBase are not permalinks.
(2,4-hexadienylthio)(4-oxo-2-cyclopentene-1-yl)-dimethylmalonate
SpectraBase Compound ID GV9wMEoj8ID
InChI InChI=1S/C16H20O5S/c1-4-5-6-7-10-22-21-15(19)16(2,3)14(18)20-13-9-8-12(17)11-13/h4-9,13H,10-11H2,1-3H3/b5-4+,7-6+
InChIKey DTWOHESZVZUQHP-YTXTXJHMSA-N
Mol Weight 324.39 g/mol
Molecular Formula C16H20O5S
Exact Mass 324.103145 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 JTHZBEQ8XjJ
Name (2,4-hexadienylthio)(4-oxo-2-cyclopentene-1-yl)-dimethylmalonate
CAS Registry Number 110027-71-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O5S
InChI InChI=1S/C16H20O5S/c1-4-5-6-7-10-22-21-15(19)16(2,3)14(18)20-13-9-8-12(17)11-13/h4-9,13H,10-11H2,1-3H3/b5-4+,7-6+
InChIKey DTWOHESZVZUQHP-YTXTXJHMSA-N
Molecular Weight 324.391 g/mol
SMILES C(C(OC1C=CC(C1)=O)=O)(C(=O)OSC\C=C\C=C\C)(C)C
SPLASH splash10-01si-9400000000-e4c9ccc7b717f1c66075
Source of Spectrum K-120-2012-11
Synonyms 4-Oxo-2-cyclopenten-1-yl 3-{[(2E,4E)-2,4-hexadienylsulfanyl]oxy}-2,2-dimethyl-3-oxopropanoate
Wiley ID 1323013