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1-N,4-N-dioctylbenzene-1,4-diamine

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

1-N,4-N-dioctylbenzene-1,4-diamine
SpectraBase Compound ID 1qwdwqvayIE
InChI InChI=1S/C22H40N2/c1-3-5-7-9-11-13-19-23-21-15-17-22(18-16-21)24-20-14-12-10-8-6-4-2/h15-18,23-24H,3-14,19-20H2,1-2H3
InChIKey DFNXHHNFURNWAF-UHFFFAOYSA-N
Mol Weight 332.6 g/mol
Molecular Formula C22H40N2
Exact Mass 332.319149 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID I6sS9L9vzF7
Name 1-N,4-N-Dioctylbenzene-1,4-diamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.319149296 u
Formula C22H40N2
InChI InChI=1S/C22H40N2/c1-3-5-7-9-11-13-19-23-21-15-17-22(18-16-21)24-20-14-12-10-8-6-4-2/h15-18,23-24H,3-14,19-20H2,1-2H3
InChIKey DFNXHHNFURNWAF-UHFFFAOYSA-N
Molecular Weight 332.576 g/mol
SMILES C1(NCCCCCCCC)=CC=C(C=C1)NCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947683