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1-(Phenylmethyl)-1,2,4,5-tetrahydro-2-benzazepin-3-one

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

1-(Phenylmethyl)-1,2,4,5-tetrahydro-2-benzazepin-3-one
SpectraBase Compound ID 7O8EXIlWjWI
InChI InChI=1S/C17H17NO/c19-17-11-10-14-8-4-5-9-15(14)16(18-17)12-13-6-2-1-3-7-13/h1-9,16H,10-12H2,(H,18,19)
InChIKey PPDJHYYVBYNUTK-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 2ePJOQjadCC
Name 1-(Phenylmethyl)-1,2,4,5-tetrahydro-2-benzazepin-3-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/c19-17-11-10-14-8-4-5-9-15(14)16(18-17)12-13-6-2-1-3-7-13/h1-9,16H,10-12H2,(H,18,19)
InChIKey PPDJHYYVBYNUTK-UHFFFAOYSA-N
Molecular Weight 251.329 g/mol
SMILES C1(NC(CCC=2C1=CC=CC2)=O)CC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.935024