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1-Benzoyl-3-methyl-6-phenyl-1,3-diazacyclohexane

View entire compound with spectra: 1 NMR, and 1 FTIR

1-Benzoyl-3-methyl-6-phenyl-1,3-diazacyclohexane
SpectraBase Compound ID 25cdUsL38k5
InChI InChI=1S/C18H20N2O/c1-19-13-12-17(15-8-4-2-5-9-15)20(14-19)18(21)16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3
InChIKey GPFQKGUHEDSNLX-UHFFFAOYSA-N
Mol Weight 280.37 g/mol
Molecular Formula C18H20N2O
Exact Mass 280.157563 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HDVHqADPG5y
Name 1-Benzoyl-3-methyl-6-phenyl-1,3-diazacyclohexane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 280.157563271 u
Formula C18H20N2O
InChI InChI=1S/C18H20N2O/c1-19-13-12-17(15-8-4-2-5-9-15)20(14-19)18(21)16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3
InChIKey GPFQKGUHEDSNLX-UHFFFAOYSA-N
SMILES C1(C2=CC=CC=C2)N(CN(CC1)C)C(=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.805387