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7-Chloro-1,3-dihydro-3-isobutyl-5-phenyl-2H-1,4-benzodiazepin-2-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

7-Chloro-1,3-dihydro-3-isobutyl-5-phenyl-2H-1,4-benzodiazepin-2-one
SpectraBase Compound ID 8XZD1deyjqf
InChI InChI=1S/C19H19ClN2O/c1-12(2)10-17-19(23)22-16-9-8-14(20)11-15(16)18(21-17)13-6-4-3-5-7-13/h3-9,11-12,17H,10H2,1-2H3,(H,22,23)
InChIKey PLDZQQLRTQORGR-UHFFFAOYSA-N
Mol Weight 326.83 g/mol
Molecular Formula C19H19ClN2O
Exact Mass 326.118591 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Eut60RP9eEO
Name 7-Chloro-1,3-dihydro-3-isobutyl-5-phenyl-2H-1,4-benzodiazepin-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.118590939 u
Formula C19H19ClN2O
InChI InChI=1S/C19H19ClN2O/c1-12(2)10-17-19(23)22-16-9-8-14(20)11-15(16)18(21-17)13-6-4-3-5-7-13/h3-9,11-12,17H,10H2,1-2H3,(H,22,23)
InChIKey PLDZQQLRTQORGR-UHFFFAOYSA-N
Molecular Weight 326.827 g/mol
SMILES N1C2=C(C(=NC(C1=O)CC(C)C)C=1C=CC=CC1)C=C(C=C2)Cl