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5-(1,3-Cycloheptadien-1-yl)-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID P9Y9w5qsaZ
InChI InChI=1S/C13H16N2O3/c1-2-13(9-7-5-3-4-6-8-9)10(16)14-12(18)15-11(13)17/h3,5,7H,2,4,6,8H2,1H3,(H2,14,15,16,17,18)
InChIKey JTCHEKGPUCRFSB-UHFFFAOYSA-N
Mol Weight 248.28 g/mol
Molecular Formula C13H16N2O3
Exact Mass 248.116092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IwXdzfiMJCm
Name 5-(1,3-Cycloheptadien-1-yl)-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Alternate Name(s) 5-(1-cyclohepta-1,3-dienyl)-5-ethyl-1,3-diazinane-2,4,6-trione 5-cyclohepta-1,3-dien-1-yl-5-ethyl-1,3-diazinane-2,4,6-trione 5-cyclohepta-1,3-dien-1-yl-5-ethyl-barbituric acid 5-cyclohepta-1,3-dien-1-yl-5-ethyl-hexahydropyrimidine-2,4,6-trione 5-Ethyl-5-cyclohepta-1,3-dienyl-hexahydropyrimidin-2,4,6-trione
CAS Registry Number 131147-48-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N2O3
InChI InChI=1S/C13H16N2O3/c1-2-13(9-7-5-3-4-6-8-9)10(16)14-12(18)15-11(13)17/h3,5,7H,2,4,6,8H2,1H3,(H2,14,15,16,17,18)
InChIKey JTCHEKGPUCRFSB-UHFFFAOYSA-N
Molecular Weight 248.282 g/mol
SMILES N1C(NC(C(C1=O)(C1=CC=CCCC1)CC)=O)=O
SPLASH splash10-0006-9210000000-a55882940970f6974fbd
Source of Spectrum JC-530-317-59
Wiley ID 1250952