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3-Methylbenzylamine, N,N-dioctyl-

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

3-Methylbenzylamine, N,N-dioctyl-
SpectraBase Compound ID 6zXrHDGuLTW
InChI InChI=1S/C24H43N/c1-4-6-8-10-12-14-19-25(20-15-13-11-9-7-5-2)22-24-18-16-17-23(3)21-24/h16-18,21H,4-15,19-20,22H2,1-3H3
InChIKey MSBFUJMXOWQXPR-UHFFFAOYSA-N
Mol Weight 345.6 g/mol
Molecular Formula C24H43N
Exact Mass 345.33955 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KvRWkkILwwC
Name 3-Methylbenzylamine, N,N-dioctyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 345.339550389 u
Formula C24H43N
InChI InChI=1S/C24H43N/c1-4-6-8-10-12-14-19-25(20-15-13-11-9-7-5-2)22-24-18-16-17-23(3)21-24/h16-18,21H,4-15,19-20,22H2,1-3H3
InChIKey MSBFUJMXOWQXPR-UHFFFAOYSA-N
Molecular Weight 345.615 g/mol
SMILES CC1=CC(CN(CCCCCCCC)CCCCCCCC)=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953756