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Heptabarbital
SpectraBase Compound ID A2vxXSayUqN
InChI InChI=1S/C13H18N2O3/c1-2-13(9-7-5-3-4-6-8-9)10(16)14-12(18)15-11(13)17/h7H,2-6,8H2,1H3,(H2,14,15,16,17,18)
InChIKey PAZQYDJGLKSCSI-UHFFFAOYSA-N
Mol Weight 250.3 g/mol
Molecular Formula C13H18N2O3
Exact Mass 250.131742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IAll7EeJ6AK
Name 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohepten-1-yl)-5-ethyl-
Alternate Name(s) 5-(1-Cyclohepten-1-yl)-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione 5-(1-Cyclohepten-1-yl)-5-ethylbarbituric acid 5-(1-cycloheptenyl)-5-ethyl-1,3-diazinane-2,4,6-trione 5-(1-Cycloheptenyl)-5-ethylbarbitursaeure 5-(cyclohepten-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione 5-(cyclohepten-1-yl)-5-ethyl-barbituric acid 5-(cyclohepten-1-yl)-5-ethyl-hexahydropyrimidine-2,4,6-trione 5-Ethyl-5-(1'-cycloheptenyl)-barbituric acid 5-Ethyl-5-cycloheptenylbarbituric acid Barbituric acid, 5-(1-cyclohepten-1-yl)-5-ethyl- Cycloheptenylethylbarbituric acid Cycloheptenylethylmalonylurea Heptabarb Heptabarbe Heptabarbital Heptabarbitone Heptabarbo Heptabarbum Heptadorm Heptamal Heptamalum Heptbarbital Medapan Medomin Medomine Noctyn EINECS 208-107-6 G 475
CAS Registry Number 509-86-4
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Formula C13H18N2O3
InChI InChI=1S/C13H18N2O3/c1-2-13(9-7-5-3-4-6-8-9)10(16)14-12(18)15-11(13)17/h7H,2-6,8H2,1H3,(H2,14,15,16,17,18)
InChIKey PAZQYDJGLKSCSI-UHFFFAOYSA-N
Molecular Weight 250.298 g/mol
SMILES N1C(NC(C(C1=O)(C1=CCCCCC1)CC)=O)=O
SPLASH splash10-00di-5390000000-54045930705e752032ca
Source of Spectrum JZ-1992-5497-0
Wiley ID 1253150