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7-Chloranyl-2,2-bis(oxidanyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylic acid
SpectraBase Compound ID 2jeW8bcjf8q
InChI InChI=1S/C16H13ClN2O4/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-14(15(20)21)16(22,23)19-12/h1-8,14,19,22-23H,(H,20,21)
InChIKey DMKBGLSCDYFSGG-UHFFFAOYSA-N
Mol Weight 332.74 g/mol
Molecular Formula C16H13ClN2O4
Exact Mass 332.056385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 44rZ3I52v2F
Name 7-Chloranyl-2,2-bis(oxidanyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylic acid
Alternate Name(s) 7-Chloro-2,2-dihydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13ClN2O4
InChI InChI=1S/C16H13ClN2O4/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-14(15(20)21)16(22,23)19-12/h1-8,14,19,22-23H,(H,20,21)
InChIKey DMKBGLSCDYFSGG-UHFFFAOYSA-N
Molecular Weight 332.743 g/mol
SMILES N1c2c(C(=NC(C1(O)O)C(=O)O)c1ccccc1)cc(cc2)Cl
SPLASH splash10-0006-2091000000-9c74f59ee6c48bbffb64
Source of Spectrum JC-439-335-0
Wiley ID 241497