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Benzobarbital
SpectraBase Compound ID 3AcrtD0pAKF
InChI InChI=1S/C19H16N2O4/c1-2-19(14-11-7-4-8-12-14)16(23)20-18(25)21(17(19)24)15(22)13-9-5-3-6-10-13/h3-12H,2H2,1H3,(H,20,23,25)
InChIKey QMOWPJIFTHVQMB-UHFFFAOYSA-N
Mol Weight 336.35 g/mol
Molecular Formula C19H16N2O4
Exact Mass 336.111007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8LZZaN8gGdB
Name 3-Phenylcarbonyl-5-ethyl-5-phenyl-1,3-diaza-cyclohexan-2,4,6-trione
CAS Registry Number 744-80-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16N2O4
InChI InChI=1S/C19H16N2O4/c1-2-19(14-11-7-4-8-12-14)16(23)20-18(25)21(17(19)24)15(22)13-9-5-3-6-10-13/h3-12H,2H2,1H3,(H,20,23,25)
InChIKey QMOWPJIFTHVQMB-UHFFFAOYSA-N
Molecular Weight 336.347 g/mol
SMILES N1C(C(C(N(C1=O)C(c1ccccc1)=O)=O)(c1ccccc1)CC)=O
SPLASH splash10-0a4i-2900000000-1a77e1bb63f767a62b58
Source of Spectrum HC-12-445-0
Synonyms 3-Phenylcarbonyl-5-ethyl-5-phenyl-3-thioxo-1,3-diaza-cyclohexan-2,4,6-trione N-Benzoyl-5-ethyl-5-phenylbarbituric acid 1-Benzoyl-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione 1-Benzoyl-5-ethyl-5-phenyl-hexahydropyrimidine-2,4,6-trione 5-Ethyl-5-phenyl-1-(phenylcarbonyl)-1,3-diazinane-2,4,6-trione
Wiley ID 1332387