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5-benzylidenebarbituric acid

View entire compound with spectra: 4 NMR, 2 FTIR, 3 UV-Vis, and 2 MS (GC)

5-benzylidenebarbituric acid
SpectraBase Compound ID 5wnCW570kre
InChI InChI=1S/C11H8N2O3/c14-9-8(10(15)13-11(16)12-9)6-7-4-2-1-3-5-7/h1-6H,(H2,12,13,14,15,16)
InChIKey CMWDWOZYVQQAMI-UHFFFAOYSA-N
Mol Weight 216.2 g/mol
Molecular Formula C11H8N2O3
Exact Mass 216.053492 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AD7VQanUHRB
Name 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(phenylmethylene)-
Alternate Name(s) Benzalbarbituric acid 5-(Phenylmethylene)-1,3-diazinane-2,4,6-trione 5-(Phenylmethylidene)-1,3-diazinane-2,4,6-trione 5-Benzalbarbituric acid 5-Benzylidene-1,3-diazinane-2,4,6-trione 5-Benzylidene-2,4,6(1H,3H,5H)-pyrimidinetrione 5-Benzylidenehexahydropyrimidine-2,4,6-trione
CAS Registry Number 27402-47-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8N2O3
InChI InChI=1S/C11H8N2O3/c14-9-8(10(15)13-11(16)12-9)6-7-4-2-1-3-5-7/h1-6H,(H2,12,13,14,15,16)
InChIKey CMWDWOZYVQQAMI-UHFFFAOYSA-N
Molecular Weight 216.196 g/mol
SMILES N1C(NC(C(C1=O)=Cc1ccccc1)=O)=O
SPLASH splash10-014i-0590000000-0ea7643e3e4486fd475b
Source of Spectrum SK-30-1297-3
Wiley ID 881210