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2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohexen-1-yl)-1,5-dimethyl-, (S)-
SpectraBase Compound ID JQI13Q3Df2j
InChI InChI=1S/C12H16N2O3/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16/h6H,3-5,7H2,1-2H3,(H,13,15,17)/t12-/m0/s1
InChIKey UYXAWHWODHRRMR-LBPRGKRZSA-N
Mol Weight 236.27 g/mol
Molecular Formula C12H16N2O3
Exact Mass 236.116092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1OA6osQCjue
Name 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohexen-1-yl)-1,5-dimethyl-, (S)-
CAS Registry Number 7245-04-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16N2O3
InChI InChI=1S/C12H16N2O3/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16/h6H,3-5,7H2,1-2H3,(H,13,15,17)/t12-/m0/s1
InChIKey UYXAWHWODHRRMR-LBPRGKRZSA-N
Molecular Weight 236.271 g/mol
SMILES N1C([C@@](C(N(C1=O)C)=O)(C1=CCCCC1)C)=O
SPLASH splash10-053r-9630000000-978eec9e48a8c4b49f0e
Source of Spectrum KO-12-467-1
Synonyms (+)-Hexobarbital (+)-Hexobarbitone (5S)-5-(1-cyclohexenyl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione (5S)-5-(cyclohexen-1-yl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione (5S)-5-(cyclohexen-1-yl)-1,5-dimethyl-barbituric acid (5S)-5-(cyclohexen-1-yl)-1,5-dimethyl-hexahydropyrimidine-2,4,6-trione (S)-Hexobarbital
Wiley ID 1237893