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1-(Phenylmethyl)-3,4-dihydro-2H-azepin-7-one

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

1-(Phenylmethyl)-3,4-dihydro-2H-azepin-7-one
SpectraBase Compound ID 5FC2cAVzScL
InChI InChI=1S/C13H15NO/c15-13-9-5-2-6-10-14(13)11-12-7-3-1-4-8-12/h1,3-5,7-9H,2,6,10-11H2
InChIKey JGWKMNFFFCNAIO-UHFFFAOYSA-N
Mol Weight 201.27 g/mol
Molecular Formula C13H15NO
Exact Mass 201.115364 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FR6am7WN9Lr
Name 1-(Phenylmethyl)-3,4-dihydro-2H-azepin-7-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 201.115364106 u
Formula C13H15NO
InChI InChI=1S/C13H15NO/c15-13-9-5-2-6-10-14(13)11-12-7-3-1-4-8-12/h1,3-5,7-9H,2,6,10-11H2
InChIKey JGWKMNFFFCNAIO-UHFFFAOYSA-N
Molecular Weight 201.269 g/mol
SMILES C1(N(CCCC=C1)CC=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.921708