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

*Links on SpectraBase are not permalinks.
1-Phenylthio-5,5-bis(ethyloxycarbonyl)pent-4-ene
SpectraBase Compound ID JFYtwKEbvG1
InChI InChI=1S/C17H22O4S/c1-3-20-16(18)15(17(19)21-4-2)12-8-9-13-22-14-10-6-5-7-11-14/h5-7,10-12H,3-4,8-9,13H2,1-2H3
InChIKey NJDOSTXINYKRCL-UHFFFAOYSA-N
Mol Weight 322.42 g/mol
Molecular Formula C17H22O4S
Exact Mass 322.12388 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 EMv8v2nHXH1
Name 1-Phenylthio-5,5-bis(ethyloxycarbonyl)pent-4-ene
Alternate Name(s) Diethyl 2-[4-(phenylsulfanyl)butylidene]malonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O4S
InChI InChI=1S/C17H22O4S/c1-3-20-16(18)15(17(19)21-4-2)12-8-9-13-22-14-10-6-5-7-11-14/h5-7,10-12H,3-4,8-9,13H2,1-2H3
InChIKey NJDOSTXINYKRCL-UHFFFAOYSA-N
Molecular Weight 322.419 g/mol
SMILES C(CCC=C(C(=O)OCC)C(=O)OCC)Sc1ccccc1
SPLASH splash10-0udv-0900000000-901e142e5c00b663ad45
Source of Spectrum SO-0-532-1
Wiley ID 1544037