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Acetamide, N-[3-(3-bromobenzoylamino)propyl]-N-methyl-

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

Acetamide, N-[3-(3-bromobenzoylamino)propyl]-N-methyl-
SpectraBase Compound ID 6tJGXaQoSVw
InChI InChI=1S/C13H17BrN2O2/c1-10(17)16(2)8-4-7-15-13(18)11-5-3-6-12(14)9-11/h3,5-6,9H,4,7-8H2,1-2H3,(H,15,18)
InChIKey NDRJWLKQIGEQON-UHFFFAOYSA-N
Mol Weight 313.2 g/mol
Molecular Formula C13H17BrN2O2
Exact Mass 312.047341 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HpGpYXeL8xM
Name Acetamide, N-[3-(3-bromobenzoylamino)propyl]-N-methyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.047340793 u
Formula C13H17BrN2O2
InChI InChI=1S/C13H17BrN2O2/c1-10(17)16(2)8-4-7-15-13(18)11-5-3-6-12(14)9-11/h3,5-6,9H,4,7-8H2,1-2H3,(H,15,18)
InChIKey NDRJWLKQIGEQON-UHFFFAOYSA-N
Molecular Weight 313.195 g/mol
SMILES C(C1=CC(Br)=CC=C1)(=O)NCCCN(C(=O)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.946429