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2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-3-methyl-5-phenyl-

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

2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-3-methyl-5-phenyl-
SpectraBase Compound ID 9lF1CNUFIBy
InChI InChI=1S/C16H14N2O/c1-11-16(19)18-14-10-6-5-9-13(14)15(17-11)12-7-3-2-4-8-12/h2-11H,1H3,(H,18,19)
InChIKey QFCQGJLUYWNOAC-UHFFFAOYSA-N
Mol Weight 250.3 g/mol
Molecular Formula C16H14N2O
Exact Mass 250.110613 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LSD1Tu9nnyJ
Name 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-3-methyl-5-phenyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.110613078 u
Formula C16H14N2O
InChI InChI=1S/C16H14N2O/c1-11-16(19)18-14-10-6-5-9-13(14)15(17-11)12-7-3-2-4-8-12/h2-11H,1H3,(H,18,19)
InChIKey QFCQGJLUYWNOAC-UHFFFAOYSA-N
Molecular Weight 250.301 g/mol
SMILES C1(=NC(C(NC=2C1=CC=CC2)=O)C)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.917526