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Sigmodal

View entire compound with spectra: 6 MS (GC)

Sigmodal
SpectraBase Compound ID 94HFsjUHG5d
InChI InChI=1S/C12H17BrN2O3/c1-4-5-7(2)12(6-8(3)13)9(16)14-11(18)15-10(12)17/h7H,3-6H2,1-2H3,(H2,14,15,16,17,18)
InChIKey ZGVCLZRQOUEZHG-UHFFFAOYSA-N
Mol Weight 317.18 g/mol
Molecular Formula C12H17BrN2O3
Exact Mass 316.042255 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7iASH1vaBjA
Name 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-bromo-2-propenyl)-5-(1-methylbutyl)-
Alternate Name(s) 5-(2-Bromo-2-propenyl)-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione 5-(.beta.-Bromoallyl)-5-(1-methylbutyl)barbituric acid 5-(2-bromanylprop-2-enyl)-5-pentan-2-yl-1,3-diazinane-2,4,6-trione 5-(2-Bromoallyl)-5-(1-methylbutyl)-1H,3H,5H-pyrimidine-2,4,6-trione 5-(2-bromoallyl)-5-(1-methylbutyl)barbituric acid 5-(2-bromoallyl)-5-(1-methylbutyl)hexahydropyrimidine-2,4,6-trione 5-(2-bromoprop-2-enyl)-5-pentan-2-yl-1,3-diazinane-2,4,6-trione Barbituric acid, 5-(2-bromoallyl)-5-(1-methylbutyl)- Recton Sigmodal R 239 EINECS 214-932-2
CAS Registry Number 1216-40-6
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Formula C12H17BrN2O3
InChI InChI=1S/C12H17BrN2O3/c1-4-5-7(2)12(6-8(3)13)9(16)14-11(18)15-10(12)17/h7H,3-6H2,1-2H3,(H2,14,15,16,17,18)
InChIKey ZGVCLZRQOUEZHG-UHFFFAOYSA-N
Molecular Weight 317.183 g/mol
SMILES N1C(NC(C(C1=O)(CC(=C)Br)C(CCC)C)=O)=O
SPLASH splash10-014i-0920000000-dc580b455e494a0d21da
Source of Spectrum JZ-1992-566-0
Wiley ID 1316336