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

*Links on SpectraBase are not permalinks.

5-(4-Methylbenzylidene)barbituric acid

View entire compound with spectra: 2 MS (GC)

5-(4-Methylbenzylidene)barbituric acid
SpectraBase Compound ID 3s2PTXahnOl
InChI InChI=1S/C12H10N2O3/c1-7-2-4-8(5-3-7)6-9-10(15)13-12(17)14-11(9)16/h2-6H,1H3,(H2,13,14,15,16,17)
InChIKey NEWBESJIUIWGMS-UHFFFAOYSA-N
Mol Weight 230.22 g/mol
Molecular Formula C12H10N2O3
Exact Mass 230.069142 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 H94RUNXn8hu
Name 5-(4-Methylbenzylidene)barbituric acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10N2O3
InChI InChI=1S/C12H10N2O3/c1-7-2-4-8(5-3-7)6-9-10(15)13-12(17)14-11(9)16/h2-6H,1H3,(H2,13,14,15,16,17)
InChIKey NEWBESJIUIWGMS-UHFFFAOYSA-N
Molecular Weight 230.223 g/mol
SMILES N1C(NC(C(C1=O)=Cc1ccc(cc1)C)=O)=O
SPLASH splash10-014i-0690000000-5945fa00f69ba05afb65
Source of Spectrum SK-30-1298-3
Synonyms 5-(p-tolylmethylene)hexahydropyrimidine-2,4,6-trione 5-[(4-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
Wiley ID 881206