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8-Chloranyl-5-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one

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

8-Chloranyl-5-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
SpectraBase Compound ID 4and1yzFJ2S
InChI InChI=1S/C16H14ClNO/c17-12-6-7-14-13(11-4-2-1-3-5-11)8-9-16(19)18-15(14)10-12/h1-7,10,13H,8-9H2,(H,18,19)
InChIKey KJQZTRKIERCAJO-UHFFFAOYSA-N
Mol Weight 271.75 g/mol
Molecular Formula C16H14ClNO
Exact Mass 271.076392 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ABiChfnXyMi
Name 8-Chloranyl-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 271.076391774 u
Formula C16H14ClNO
InChI InChI=1S/C16H14ClNO/c17-12-6-7-14-13(11-4-2-1-3-5-11)8-9-16(19)18-15(14)10-12/h1-7,10,13H,8-9H2,(H,18,19)
InChIKey KJQZTRKIERCAJO-UHFFFAOYSA-N
Molecular Weight 271.747 g/mol
SMILES C=12NC(=O)CCC(C2=CC=C(C1)Cl)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.901103