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n-Heptyl-2-iodo-benzamide

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

n-Heptyl-2-iodo-benzamide
SpectraBase Compound ID 6Q9OlgR6kR5
InChI InChI=1S/C14H20INO/c1-2-3-4-5-8-11-16-14(17)12-9-6-7-10-13(12)15/h6-7,9-10H,2-5,8,11H2,1H3,(H,16,17)
InChIKey DGGJUBDHDVMZIH-UHFFFAOYSA-N
Mol Weight 345.22 g/mol
Molecular Formula C14H20INO
Exact Mass 345.058959 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JYaTaLhpRL1
Name N-Heptyl-2-iodo-benzamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 345.058959267 u
Formula C14H20INO
InChI InChI=1S/C14H20INO/c1-2-3-4-5-8-11-16-14(17)12-9-6-7-10-13(12)15/h6-7,9-10H,2-5,8,11H2,1H3,(H,16,17)
InChIKey DGGJUBDHDVMZIH-UHFFFAOYSA-N
Molecular Weight 345.224 g/mol
SMILES C1(=C(C=CC=C1)I)C(NCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.925113