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3-(7-Chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)propionic acid

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3-(7-Chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)propionic acid
SpectraBase Compound ID GJmLlXaKFEb
InChI InChI=1S/C18H15ClN2O3/c19-12-6-7-14-13(10-12)17(11-4-2-1-3-5-11)20-15(18(24)21-14)8-9-16(22)23/h1-7,10,15H,8-9H2,(H,21,24)(H,22,23)
InChIKey UWJZEAZXHBCGFI-UHFFFAOYSA-N
Mol Weight 342.78 g/mol
Molecular Formula C18H15ClN2O3
Exact Mass 342.07712 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KHMwxEUt0n8
Name 3-(7-Chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)propionic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.077120048 u
Formula C18H15ClN2O3
InChI InChI=1S/C18H15ClN2O3/c19-12-6-7-14-13(10-12)17(11-4-2-1-3-5-11)20-15(18(24)21-14)8-9-16(22)23/h1-7,10,15H,8-9H2,(H,21,24)(H,22,23)
InChIKey UWJZEAZXHBCGFI-UHFFFAOYSA-N
Molecular Weight 342.782 g/mol
SMILES C12=C(NC(C(N=C2C2=CC=CC=C2)CCC(=O)O)=O)C=CC(=C1)Cl