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N-[2-(1-Methylcyclopropyl)phenyl]-4-bromobenzamide

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

N-[2-(1-Methylcyclopropyl)phenyl]-4-bromobenzamide
SpectraBase Compound ID CRz6syd1gIA
InChI InChI=1S/C17H16BrNO/c1-17(10-11-17)14-4-2-3-5-15(14)19-16(20)12-6-8-13(18)9-7-12/h2-9H,10-11H2,1H3,(H,19,20)
InChIKey BCELIFGNQPVMHG-UHFFFAOYSA-N
Mol Weight 330.23 g/mol
Molecular Formula C17H16BrNO
Exact Mass 329.041527 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LFfXEkGvDGS
Name N-[2-(1-Methylcyclopropyl)phenyl]-4-bromobenzamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 329.041527138 u
Formula C17H16BrNO
InChI InChI=1S/C17H16BrNO/c1-17(10-11-17)14-4-2-3-5-15(14)19-16(20)12-6-8-13(18)9-7-12/h2-9H,10-11H2,1H3,(H,19,20)
InChIKey BCELIFGNQPVMHG-UHFFFAOYSA-N
Molecular Weight 330.225 g/mol
SMILES C1=CC(=C(C=C1)NC(C=1C=CC(=CC1)Br)=O)C1(CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.86018