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1,4-Benzodiazepin-3-ol, 7-bromo-2,3(1H)-dihydro-5-(2-chlorophenyl)-2-oxo-, propanoate

View entire compound with spectra: 2 NMR

1,4-Benzodiazepin-3-ol, 7-bromo-2,3(1H)-dihydro-5-(2-chlorophenyl)-2-oxo-, propanoate
SpectraBase Compound ID 7MJ25ZQVPLa
InChI InChI=1S/C18H14BrClN2O3/c1-2-15(23)25-18-17(24)21-14-8-7-10(19)9-12(14)16(22-18)11-5-3-4-6-13(11)20/h3-9,18H,2H2,1H3,(H,21,24)
InChIKey ZUVZBTSEBFDTFI-UHFFFAOYSA-N
Mol Weight 421.68 g/mol
Molecular Formula C18H14BrClN2O3
Exact Mass 419.987633 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3XDxK6ryaa
Name 1,4-Benzodiazepin-3-ol, 7-bromo-2,3(1H)-dihydro-5-(2-chlorophenyl)-2-oxo-, propanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 419.987633016 u
Formula C18H14BrClN2O3
InChI InChI=1S/C18H14BrClN2O3/c1-2-15(23)25-18-17(24)21-14-8-7-10(19)9-12(14)16(22-18)11-5-3-4-6-13(11)20/h3-9,18H,2H2,1H3,(H,21,24)
InChIKey ZUVZBTSEBFDTFI-UHFFFAOYSA-N
Molecular Weight 421.678 g/mol
SMILES C1(=NC(C(=O)NC2=C1C=C(Br)C=C2)OC(=O)CC)C1=C(Cl)C=CC=C1