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Propanamide, 2-bromo-N-(2-phenylethyl)-N-(2-heptyl)-

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

Propanamide, 2-bromo-N-(2-phenylethyl)-N-(2-heptyl)-
SpectraBase Compound ID Bx7FAiSCllP
InChI InChI=1S/C18H28BrNO/c1-4-5-7-10-15(2)20(18(21)16(3)19)14-13-17-11-8-6-9-12-17/h6,8-9,11-12,15-16H,4-5,7,10,13-14H2,1-3H3
InChIKey NZAQNHFBROSUGQ-UHFFFAOYSA-N
Mol Weight 354.33 g/mol
Molecular Formula C18H28BrNO
Exact Mass 353.135428 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6PVwcwyJNuA
Name Propanamide, 2-bromo-N-(2-phenylethyl)-N-(2-heptyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 353.135427525 u
Formula C18H28BrNO
InChI InChI=1S/C18H28BrNO/c1-4-5-7-10-15(2)20(18(21)16(3)19)14-13-17-11-8-6-9-12-17/h6,8-9,11-12,15-16H,4-5,7,10,13-14H2,1-3H3
InChIKey NZAQNHFBROSUGQ-UHFFFAOYSA-N
Molecular Weight 354.332 g/mol
SMILES C1=CC=CC(=C1)CCN(C(=O)C(Br)C)C(CCCCC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.974531