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(2S,3S)-N3,N3-Dibenzyl-2-(cyclohexylthio)-N1-propylbutan-1,3-diamine
SpectraBase Compound ID L9YJjBJAAZl
InChI InChI=1S/C27H40N2S/c1-3-19-28-20-27(30-26-17-11-6-12-18-26)23(2)29(21-24-13-7-4-8-14-24)22-25-15-9-5-10-16-25/h4-5,7-10,13-16,23,26-28H,3,6,11-12,17-22H2,1-2H3/t23-,27-/m0/s1
InChIKey JOISKCIHQLZUFD-HOFKKMOUSA-N
Mol Weight 424.7 g/mol
Molecular Formula C27H40N2S
Exact Mass 424.29122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IFvNO16RCAU
Name (2S,3S)-N3,N3-Dibenzyl-2-(cyclohexylthio)-N1-propylbutan-1,3-diamine
Alternate Name(s) (2S,3S)-N(3),N(3)-dibenzyl-2-(cyclohexylsulfanyl)-N(1)-propyl-1,3-butanediamine N,N-dibenzyl-N-[(1S,2S)-2-(cyclohexylsulfanyl)-1-methyl-3-(propylamino)propyl]amine (2S,3S)-2-(cyclohexylthio)-N3,N3-bis(phenylmethyl)-N1-propylbutane-1,3-diamine (2S,3S)-3-N,3-N-dibenzyl-2-cyclohexylsulfanyl-1-N-propylbutane-1,3-diamine (2S,3S)-N3,N3-dibenzyl-2-cyclohexylsulfanyl-N1-propyl-butane-1,3-diamine (2S,3S)-2-cyclohexylsulfanyl-N3,N3-bis(phenylmethyl)-N1-propyl-butane-1,3-diamine
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Formula C27H40N2S
InChI InChI=1S/C27H40N2S/c1-3-19-28-20-27(30-26-17-11-6-12-18-26)23(2)29(21-24-13-7-4-8-14-24)22-25-15-9-5-10-16-25/h4-5,7-10,13-16,23,26-28H,3,6,11-12,17-22H2,1-2H3/t23-,27-/m0/s1
InChIKey JOISKCIHQLZUFD-HOFKKMOUSA-N
Molecular Weight 424.691 g/mol
SMILES N(C[C@@]([C@](C)(N(Cc1ccccc1)Cc1ccccc1)[H])(SC1CCCCC1)[H])CCC
SPLASH splash10-006x-9160000000-e7c4597bdaab1b5db4a6
Source of Spectrum F-70-9415-2
Wiley ID 1597842