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

*Links on SpectraBase are not permalinks.
5-[2-(azepan-1-yl)-5-nitro-benzylidene]-1,3-dimethyl-barbituric acid
SpectraBase Compound ID BPgRruJxlSp
InChI InChI=1S/C19H22N4O5/c1-20-17(24)15(18(25)21(2)19(20)26)12-13-11-14(23(27)28)7-8-16(13)22-9-5-3-4-6-10-22/h7-8,11-12H,3-6,9-10H2,1-2H3
InChIKey BEAUNHZMCAIPKS-UHFFFAOYSA-N
Mol Weight 386.41 g/mol
Molecular Formula C19H22N4O5
Exact Mass 386.15902 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 EbZ12XDkyUz
Name 5-[2-(azepan-1-yl)-5-nitro-benzylidene]-1,3-dimethyl-barbituric acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22N4O5
InChI InChI=1S/C19H22N4O5/c1-20-17(24)15(18(25)21(2)19(20)26)12-13-11-14(23(27)28)7-8-16(13)22-9-5-3-4-6-10-22/h7-8,11-12H,3-6,9-10H2,1-2H3
InChIKey BEAUNHZMCAIPKS-UHFFFAOYSA-N
Molecular Weight 386.408 g/mol
SMILES C1(C(N(C)C(N(C1=O)C)=O)=O)=Cc1c(N2CCCCCC2)ccc(N(=O)=O)c1
SPLASH splash10-00ll-5964000000-b9a0442780a75bef10f8
Synonyms 5-[[2-(1-azepanyl)-5-nitrophenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione 5-[[2-(azepan-1-yl)-5-nitro-phenyl]methylene]-1,3-dimethyl-hexahydropyrimidine-2,4,6-trione 5-[[2-(azepan-1-yl)-5-nitro-phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Wiley ID 1443843