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N,N-Dihexyl-4-iodoaniline

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

N,N-Dihexyl-4-iodoaniline
SpectraBase Compound ID KZrsaToxS8h
InChI InChI=1S/C18H30IN/c1-3-5-7-9-15-20(16-10-8-6-4-2)18-13-11-17(19)12-14-18/h11-14H,3-10,15-16H2,1-2H3
InChIKey GHTRYGWOSLLAQG-UHFFFAOYSA-N
Mol Weight 387.35 g/mol
Molecular Formula C18H30IN
Exact Mass 387.142295 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ix2msolXjLK
Name N,N-Dihexyl-4-iodoaniline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 387.142294970 u
Formula C18H30IN
InChI InChI=1S/C18H30IN/c1-3-5-7-9-15-20(16-10-8-6-4-2)18-13-11-17(19)12-14-18/h11-14H,3-10,15-16H2,1-2H3
InChIKey GHTRYGWOSLLAQG-UHFFFAOYSA-N
Molecular Weight 387.349 g/mol
SMILES C=1(N(CCCCCC)CCCCCC)C=CC(=CC1)I
Spectrum/Structure Validation Score (Vapor Phase IR) 0.939927