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2-Methyl-4-phenyl-1,2,6,7,8,9-hexahydro-3H-2-benzazepin-3-one
SpectraBase Compound ID 4mnQu9CbLAo
InChI InChI=1S/C17H19NO/c1-18-12-15-10-6-5-9-14(15)11-16(17(18)19)13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10,12H2,1H3
InChIKey SAZQCYUNEICBCQ-UHFFFAOYSA-N
Mol Weight 253.34 g/mol
Molecular Formula C17H19NO
Exact Mass 253.146664 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 48DQKEMz3mz
Name 2-Methyl-4-phenyl-1,2,6,7,8,9-hexahydro-3H-2-benzazepin-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 253.146664235 u
Formula C17H19NO
InChI InChI=1S/C17H19NO/c1-18-12-15-10-6-5-9-14(15)11-16(17(18)19)13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10,12H2,1H3
InChIKey SAZQCYUNEICBCQ-UHFFFAOYSA-N
Molecular Weight 253.345 g/mol
SMILES CN1C(=O)C(=CC2=C(C1)CCCC2)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.890534