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

*Links on SpectraBase are not permalinks.
5-[4-[2-(2-allylphenoxy)ethoxy]-3-bromo-5-methoxy-benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone
SpectraBase Compound ID KMK7dFGQXPV
InChI InChI=1S/C23H21BrN2O5S/c1-3-6-15-7-4-5-8-18(15)30-9-10-31-20-17(24)12-14(13-19(20)29-2)11-16-21(27)25-23(32)26-22(16)28/h3-5,7-8,11-13H,1,6,9-10H2,2H3,(H2,25,26,27,28,32)
InChIKey MDJYHCOMCYXFAZ-UHFFFAOYSA-N
Mol Weight 517.39 g/mol
Molecular Formula C23H21BrN2O5S
Exact Mass 516.035456 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 ALNRG9ajibw
Name 5-[4-[2-(2-allylphenoxy)ethoxy]-3-bromo-5-methoxy-benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone
Alternate Name(s) 5-[[3-bromanyl-5-methoxy-4-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione 5-[[3-bromo-5-methoxy-4-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione 5-[[4-[2-(2-allylphenoxy)ethoxy]-3-bromo-5-methoxy-phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H21BrN2O5S
InChI InChI=1S/C23H21BrN2O5S/c1-3-6-15-7-4-5-8-18(15)30-9-10-31-20-17(24)12-14(13-19(20)29-2)11-16-21(27)25-23(32)26-22(16)28/h3-5,7-8,11-13H,1,6,9-10H2,2H3,(H2,25,26,27,28,32)
InChIKey MDJYHCOMCYXFAZ-UHFFFAOYSA-N
Molecular Weight 517.394 g/mol
SMILES N1C(NC(C(C1=O)=Cc1cc(Br)c(c(c1)OC)OCCOc1c(CC=C)cccc1)=O)=S
SPLASH splash10-014i-2900050000-03cdfee30d841dd8d4e9
Wiley ID 1436558