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3-Bromobenzamide, N-(2-phenylethyl)-N-butyl-

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3-Bromobenzamide, N-(2-phenylethyl)-N-butyl-
SpectraBase Compound ID 5Oe1naA8HUO
InChI InChI=1S/C19H22BrNO/c1-2-3-13-21(14-12-16-8-5-4-6-9-16)19(22)17-10-7-11-18(20)15-17/h4-11,15H,2-3,12-14H2,1H3
InChIKey KATRFSOVHZKBKY-UHFFFAOYSA-N
Mol Weight 360.3 g/mol
Molecular Formula C19H22BrNO
Exact Mass 359.088477 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 55hQpUmvu2Y
Name 3-Bromobenzamide, N-(2-phenylethyl)-N-butyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 359.088477331 u
Formula C19H22BrNO
InChI InChI=1S/C19H22BrNO/c1-2-3-13-21(14-12-16-8-5-4-6-9-16)19(22)17-10-7-11-18(20)15-17/h4-11,15H,2-3,12-14H2,1H3
InChIKey KATRFSOVHZKBKY-UHFFFAOYSA-N
Molecular Weight 360.295 g/mol
SMILES C1(=CC=CC=C1)CCN(C(=O)C1=CC(=CC=C1)Br)CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.902304