For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(S)-N1,N1-dioctyl-3-phenylpropane-1,2-diamine

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

(S)-N1,N1-dioctyl-3-phenylpropane-1,2-diamine
SpectraBase Compound ID BLQnN5Vtjnd
InChI InChI=1S/C25H46N2/c1-3-5-7-9-11-16-20-27(21-17-12-10-8-6-4-2)23-25(26)22-24-18-14-13-15-19-24/h13-15,18-19,25H,3-12,16-17,20-23,26H2,1-2H3/t25-/m0/s1
InChIKey LTXWAPNAGUDCSG-VWLOTQADSA-N
Mol Weight 374.7 g/mol
Molecular Formula C25H46N2
Exact Mass 374.366099 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 91uEsvJRgjD
Name (S)-N1,N1-Dioctyl-3-phenylpropane-1,2-diamine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.366099489 u
Formula C25H46N2
InChI InChI=1S/C25H46N2/c1-3-5-7-9-11-16-20-27(21-17-12-10-8-6-4-2)23-25(26)22-24-18-14-13-15-19-24/h13-15,18-19,25H,3-12,16-17,20-23,26H2,1-2H3/t25-/m0/s1
InChIKey LTXWAPNAGUDCSG-VWLOTQADSA-N
Molecular Weight 374.657 g/mol
SMILES C1(=CC=CC=C1)C[C@](N)(CN(CCCCCCCC)CCCCCCCC)[H]