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1H-Azepine-1-carboxaldehyde, hexahydro-2-phenyl-

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

1H-Azepine-1-carboxaldehyde, hexahydro-2-phenyl-
SpectraBase Compound ID EtIKkLCmnMt
InChI InChI=1S/C13H17NO/c15-11-14-10-6-2-5-9-13(14)12-7-3-1-4-8-12/h1,3-4,7-8,11,13H,2,5-6,9-10H2
InChIKey HUIYGUCNCWYBNY-UHFFFAOYSA-N
Mol Weight 203.28 g/mol
Molecular Formula C13H17NO
Exact Mass 203.131014 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5T5DX0w6sPm
Name 1H-Azepine-1-carboxaldehyde, hexahydro-2-phenyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 203.131014170 u
Formula C13H17NO
InChI InChI=1S/C13H17NO/c15-11-14-10-6-2-5-9-13(14)12-7-3-1-4-8-12/h1,3-4,7-8,11,13H,2,5-6,9-10H2
InChIKey HUIYGUCNCWYBNY-UHFFFAOYSA-N
Molecular Weight 203.285 g/mol
SMILES C1(N(CCCCC1)C=O)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.879342