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N,N-Dipentyl-o-toluidine

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

N,N-Dipentyl-o-toluidine
SpectraBase Compound ID 1mYu7rj2AQW
InChI InChI=1S/C17H29N/c1-4-6-10-14-18(15-11-7-5-2)17-13-9-8-12-16(17)3/h8-9,12-13H,4-7,10-11,14-15H2,1-3H3
InChIKey AOUYLNGACBWTFK-UHFFFAOYSA-N
Mol Weight 247.43 g/mol
Molecular Formula C17H29N
Exact Mass 247.23 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EiUSnaIKgDT
Name N,N-Dipentyl-o-toluidine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 247.229999938 u
Formula C17H29N
InChI InChI=1S/C17H29N/c1-4-6-10-14-18(15-11-7-5-2)17-13-9-8-12-16(17)3/h8-9,12-13H,4-7,10-11,14-15H2,1-3H3
InChIKey AOUYLNGACBWTFK-UHFFFAOYSA-N
Molecular Weight 247.426 g/mol
SMILES C=1(N(CCCCC)CCCCC)C(=CC=CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.902768