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2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-9-hydroxy-3-methyl-5-phenyl-

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

2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-9-hydroxy-3-methyl-5-phenyl-
SpectraBase Compound ID CSW6jk1BbgQ
InChI InChI=1S/C16H13ClN2O2/c1-9-16(21)19-15-12(7-11(17)8-13(15)20)14(18-9)10-5-3-2-4-6-10/h2-9,20H,1H3,(H,19,21)
InChIKey WTFLLUSLVIXUNU-UHFFFAOYSA-N
Mol Weight 300.74 g/mol
Molecular Formula C16H13ClN2O2
Exact Mass 300.066555 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9e54TBF76rs
Name 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-9-hydroxy-3-methyl-5-phenyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 300.066555365 u
Formula C16H13ClN2O2
InChI InChI=1S/C16H13ClN2O2/c1-9-16(21)19-15-12(7-11(17)8-13(15)20)14(18-9)10-5-3-2-4-6-10/h2-9,20H,1H3,(H,19,21)
InChIKey WTFLLUSLVIXUNU-UHFFFAOYSA-N
SMILES C1(=NC(C(NC=2C1=CC(=CC2O)Cl)=O)C)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.860298