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1H-1,2-Benzodiazepine-3,4-dicarboxylic acid, 4,5-dihydro-4-methyl-5-oxo-, diethyl ester
SpectraBase Compound ID IlsGgUXw9Cr
InChI InChI=1S/C16H18N2O5/c1-4-22-14(20)12-16(3,15(21)23-5-2)13(19)10-8-6-7-9-11(10)17-18-12/h6-9,17H,4-5H2,1-3H3
InChIKey JEWPXHOXUCERQZ-UHFFFAOYSA-N
Mol Weight 318.33 g/mol
Molecular Formula C16H18N2O5
Exact Mass 318.121572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GYjYAppBQah
Name 1H-1,2-Benzodiazepine-3,4-dicarboxylic acid, 4,5-dihydro-4-methyl-5-oxo-, diethyl ester
CAS Registry Number 71443-85-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N2O5
InChI InChI=1S/C16H18N2O5/c1-4-22-14(20)12-16(3,15(21)23-5-2)13(19)10-8-6-7-9-11(10)17-18-12/h6-9,17H,4-5H2,1-3H3
InChIKey JEWPXHOXUCERQZ-UHFFFAOYSA-N
Molecular Weight 318.329 g/mol
SMILES N1c2c(C(C(C(=N1)C(=O)OCC)(C(=O)OCC)C)=O)cccc2
SPLASH splash10-00kb-0692000000-2253145c461334785b9b
Source of Spectrum KC-1979-1197-0
Synonyms Diethyl 4,5-dihydro-4-methyl-5-oxo-1H-1,2-benzodrazepine-3,4-dicarboxylate Diethyl 4-methyl-5-oxo-4,5-dihydro-1H-1,2-benzodiazepine-3,4-dicarboxylate
Wiley ID 1318288