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

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

7-Chloro-3-ethyl-2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one
SpectraBase Compound ID 2iffcEcp2On
InChI InChI=1S/C17H15ClN2O/c1-2-14-17(21)20-15-9-8-12(18)10-13(15)16(19-14)11-6-4-3-5-7-11/h3-10,14H,2H2,1H3,(H,20,21)
InChIKey GERJRAIGCKNDOR-UHFFFAOYSA-N
Mol Weight 298.77 g/mol
Molecular Formula C17H15ClN2O
Exact Mass 298.087291 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID H2LSoJE2CbA
Name 7-Chloro-3-ethyl-2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.087290810 u
Formula C17H15ClN2O
InChI InChI=1S/C17H15ClN2O/c1-2-14-17(21)20-15-9-8-12(18)10-13(15)16(19-14)11-6-4-3-5-7-11/h3-10,14H,2H2,1H3,(H,20,21)
InChIKey GERJRAIGCKNDOR-UHFFFAOYSA-N
SMILES C1=2NC(C(N=C(C2C=C(Cl)C=C1)C1=CC=CC=C1)CC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.865227