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N-(4-Sec-butyl-phenyl)-2-iodo-benzamide

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

N-(4-Sec-butyl-phenyl)-2-iodo-benzamide
SpectraBase Compound ID 1f89G0DWps2
InChI InChI=1S/C17H18INO/c1-3-12(2)13-8-10-14(11-9-13)19-17(20)15-6-4-5-7-16(15)18/h4-12H,3H2,1-2H3,(H,19,20)
InChIKey YXNNFYFXWHHJMO-UHFFFAOYSA-N
Mol Weight 379.24 g/mol
Molecular Formula C17H18INO
Exact Mass 379.043309 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BgPFFsEH4c2
Name N-(4-sec-Butyl-phenyl)-2-iodo-benzamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 379.043309203 u
Formula C17H18INO
InChI InChI=1S/C17H18INO/c1-3-12(2)13-8-10-14(11-9-13)19-17(20)15-6-4-5-7-16(15)18/h4-12H,3H2,1-2H3,(H,19,20)
InChIKey YXNNFYFXWHHJMO-UHFFFAOYSA-N
Molecular Weight 379.241 g/mol
SMILES C1(C(NC2=CC=C(C(CC)C)C=C2)=O)=C(C=CC=C1)I
Spectrum/Structure Validation Score (Vapor Phase IR) 0.889