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Benzamide, 4-bromo-N-(2-phenylethyl)-N-heptyl-

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

Benzamide, 4-bromo-N-(2-phenylethyl)-N-heptyl-
SpectraBase Compound ID HnDmbSfo8QR
InChI InChI=1S/C22H28BrNO/c1-2-3-4-5-9-17-24(18-16-19-10-7-6-8-11-19)22(25)20-12-14-21(23)15-13-20/h6-8,10-15H,2-5,9,16-18H2,1H3
InChIKey GGUKNLFITKEBLB-UHFFFAOYSA-N
Mol Weight 402.38 g/mol
Molecular Formula C22H28BrNO
Exact Mass 401.135428 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DqvRl9DJL5c
Name Benzamide, 4-bromo-N-(2-phenylethyl)-N-heptyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 401.135427525 u
Formula C22H28BrNO
InChI InChI=1S/C22H28BrNO/c1-2-3-4-5-9-17-24(18-16-19-10-7-6-8-11-19)22(25)20-12-14-21(23)15-13-20/h6-8,10-15H,2-5,9,16-18H2,1H3
InChIKey GGUKNLFITKEBLB-UHFFFAOYSA-N
Molecular Weight 402.376 g/mol
SMILES C1=CC=CC(=C1)CCN(C(=O)C=1C=CC(=CC1)Br)CCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.929609