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2,7-Diketo-3,3-dimethyl-1,4,5,6-tetrahydro-1,4-benzodiazonine-5-carboxylic acid methyl ester
SpectraBase Compound ID Jc2uvM96dYF
InChI InChI=1S/C15H18N2O4/c1-15(2)14(20)16-10-7-5-4-6-9(10)12(18)8-11(17-15)13(19)21-3/h4-7,11,17H,8H2,1-3H3,(H,16,20)
InChIKey XVUGZRVDOPOUIP-UHFFFAOYSA-N
Mol Weight 290.32 g/mol
Molecular Formula C15H18N2O4
Exact Mass 290.126657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7yuOYlwpZTM
Name 2,7-Diketo-3,3-dimethyl-1,4,5,6-tetrahydro-1,4-benzodiazonine-5-carboxylic acid methyl ester
Alternate Name(s) 3,3-Dimethyl-2,7-dioxo-1,4,5,6-tetrahydro-1,4-benzodiazonine-5-carboxylic acid methyl ester Methyl 3,3-dimethyl-2,7-bis(oxidanylidene)-1,4,5,6-tetrahydro-1,4-benzodiazonine-5-carboxylate Methyl 3,3-dimethyl-2,7-dioxo-1,4,5,6-tetrahydro-1,4-benzodiazonine-5-carboxylate
CAS Registry Number 123771-38-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18N2O4
InChI InChI=1S/C15H18N2O4/c1-15(2)14(20)16-10-7-5-4-6-9(10)12(18)8-11(17-15)13(19)21-3/h4-7,11,17H,8H2,1-3H3,(H,16,20)
InChIKey XVUGZRVDOPOUIP-UHFFFAOYSA-N
Molecular Weight 290.319 g/mol
SMILES N1c2c(C(CC(NC(C1=O)(C)C)C(=O)OC)=O)cccc2
SPLASH splash10-006y-0910000000-5785f1937ee67678624f
Source of Spectrum Y-26-538-3
Wiley ID 1293448