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

View entire compound with spectra: 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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9B3abLFEHG7
Name (S)-N1,N1-dioctyl-3-phenylpropane-1,2-diamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Literature Reference DOI 10.1002/adsc.201000419
Molecular Weight 374.657 g/mol
SMILES N[C@](CN(CCCCCCCC)CCCCCCCC)(Cc1ccccc1)[H]
SPLASH splash10-0zfu-9680000000-20e455ae63ecb941cab5
Source of Spectrum ASC-352-2421/SM5-9d
Wiley ID 1764006