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

*Links on SpectraBase are not permalinks.
(5E)-1-allyl-5-(4-chlorobenzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone
SpectraBase Compound ID 5bZ86s2FWDj
InChI InChI=1S/C14H11ClN2O2S/c1-2-7-17-13(19)11(12(18)16-14(17)20)8-9-3-5-10(15)6-4-9/h2-6,8H,1,7H2,(H,16,18,20)/b11-8+
InChIKey JDIFEOKOJPESSS-DHZHZOJOSA-N
Mol Weight 306.77 g/mol
Molecular Formula C14H11ClN2O2S
Exact Mass 306.022976 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 G5I0TcVKImy
Name (5E)-1-allyl-5-(4-chlorobenzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H11ClN2O2S
InChI InChI=1S/C14H11ClN2O2S/c1-2-7-17-13(19)11(12(18)16-14(17)20)8-9-3-5-10(15)6-4-9/h2-6,8H,1,7H2,(H,16,18,20)/b11-8+
InChIKey JDIFEOKOJPESSS-DHZHZOJOSA-N
Molecular Weight 306.767 g/mol
SMILES N1C(N(C(\C(C1=O)=C/c1ccc(Cl)cc1)=O)CC=C)=S
SPLASH splash10-00ko-1931000000-df874dd411c1a8ccce5a
Synonyms (5E)-1-allyl-5-[(4-chlorophenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione (5E)-5-[(4-chlorophenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Wiley ID 1451833