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(1H)1,5-Benzodiazepin-2-one, 8-chloro-2,3-dihydro-4-(2-phenylethenyl)-

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

(1H)1,5-Benzodiazepin-2-one, 8-chloro-2,3-dihydro-4-(2-phenylethenyl)-
SpectraBase Compound ID AigSWmbcAey
InChI InChI=1S/C17H13ClN2O/c18-13-7-9-15-16(10-13)20-17(21)11-14(19-15)8-6-12-4-2-1-3-5-12/h1-10H,11H2,(H,20,21)/b8-6+
InChIKey MLVRVEXHZALYHR-SOFGYWHQSA-N
Mol Weight 296.76 g/mol
Molecular Formula C17H13ClN2O
Exact Mass 296.071641 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9jtLkkjDKmx
Name 1H-1,5-Benzodiazepin-2-one, 8-chloro-2,3-dihydro-4-(2-phenylethenyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.071640746 u
Formula C17H13ClN2O
InChI InChI=1S/C17H13ClN2O/c18-13-7-9-15-16(10-13)20-17(21)11-14(19-15)8-6-12-4-2-1-3-5-12/h1-10H,11H2,(H,20,21)/b8-6+
InChIKey MLVRVEXHZALYHR-SOFGYWHQSA-N
SMILES C12=C(C=C(C=C2)Cl)NC(=O)CC(=N1)\C=C\C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.911233