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9-Methyl-5-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one

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

9-Methyl-5-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
SpectraBase Compound ID DN2OSlXHQo5
InChI InChI=1S/C17H17NO/c1-12-6-5-9-15-14(13-7-3-2-4-8-13)10-11-16(19)18-17(12)15/h2-9,14H,10-11H2,1H3,(H,18,19)
InChIKey ATVCKIVJOOTUTR-UHFFFAOYSA-N
Mol Weight 251.33 g/mol
Molecular Formula C17H17NO
Exact Mass 251.131014 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CFkxHVWTRAx
Name 9-Methyl-5-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 251.131014170 u
Formula C17H17NO
InChI InChI=1S/C17H17NO/c1-12-6-5-9-15-14(13-7-3-2-4-8-13)10-11-16(19)18-17(12)15/h2-9,14H,10-11H2,1H3,(H,18,19)
InChIKey ATVCKIVJOOTUTR-UHFFFAOYSA-N
Molecular Weight 251.329 g/mol
SMILES C1(NC=2C(C(CC1)C=1C=CC=CC1)=CC=CC2C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.892154