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7-Bromo-5-keto-3,4-dihydro-2H-1,4-benzodiazepine-1-carboxylic acid ethyl ester

View entire compound with spectra: 1 MS (GC)

7-Bromo-5-keto-3,4-dihydro-2H-1,4-benzodiazepine-1-carboxylic acid ethyl ester
SpectraBase Compound ID CV5Ju6rvIp9
InChI InChI=1S/C12H13BrN2O3/c1-2-18-12(17)15-6-5-14-11(16)9-7-8(13)3-4-10(9)15/h3-4,7H,2,5-6H2,1H3,(H,14,16)
InChIKey ZRMLDOXXZGTYIT-UHFFFAOYSA-N
Mol Weight 313.15 g/mol
Molecular Formula C12H13BrN2O3
Exact Mass 312.010955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BqNbMF6sMeS
Name 7-Bromo-5-keto-3,4-dihydro-2H-1,4-benzodiazepine-1-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13BrN2O3
InChI InChI=1S/C12H13BrN2O3/c1-2-18-12(17)15-6-5-14-11(16)9-7-8(13)3-4-10(9)15/h3-4,7H,2,5-6H2,1H3,(H,14,16)
InChIKey ZRMLDOXXZGTYIT-UHFFFAOYSA-N
Molecular Weight 313.151 g/mol
SMILES N1CCN(c2c(C1=O)cc(cc2)Br)C(=O)OCC
SPLASH splash10-03di-0492000000-fae0dae913a89e7f064e
Source of Spectrum Y1-41-872-5
Synonyms 7-Bromo-5-oxo-3,4-dihydro-2H-1,4-benzodiazepine-1-carboxylic acid ethyl ester Ethyl 7-bromanyl-5-oxidanylidene-3,4-dihydro-2H-1,4-benzodiazepine-1-carboxylate Ethyl 7-bromo-5-oxo-3,4-dihydro-2H-1,4-benzodiazepine-1-carboxylate
Wiley ID 1564991