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[2'-(Benzylsulfanyl)-3'-{4''-(t-butylphenyl)propylidene]-[2-(methoxymethyl)pyrrolidin-1-yl]amine
SpectraBase Compound ID CNCrKvR3uuS
InChI InChI=1S/C26H36N2OS/c1-26(2,3)23-14-12-21(13-15-23)17-25(30-20-22-9-6-5-7-10-22)18-27-28-16-8-11-24(28)19-29-4/h5-7,9-10,12-15,18,24-25H,8,11,16-17,19-20H2,1-4H3/b27-18+/t24-,25-/m0/s1
InChIKey PGSXQCFPCGPJTM-CECHPXHVSA-N
Mol Weight 424.6 g/mol
Molecular Formula C26H36N2OS
Exact Mass 424.254835 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 54D8C2lPe9u
Name [2'-(Benzylsulfanyl)-3'-{4''-(t-butylphenyl)propylidene]-[2-(methoxymethyl)pyrrolidin-1-yl]amine
Alternate Name(s) (E,2S)-3-(4-tert-butylphenyl)-N-[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]-2-(phenylmethylthio)-1-propanimine (E,2S)-2-benzylsulfanyl-3-(4-tert-butylphenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propan-1-imine (E,2S)-3-(4-tert-butylphenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(phenylmethylsulfanyl)propan-1-imine
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Formula C26H36N2OS
InChI InChI=1S/C26H36N2OS/c1-26(2,3)23-14-12-21(13-15-23)17-25(30-20-22-9-6-5-7-10-22)18-27-28-16-8-11-24(28)19-29-4/h5-7,9-10,12-15,18,24-25H,8,11,16-17,19-20H2,1-4H3/b27-18+/t24-,25-/m0/s1
InChIKey PGSXQCFPCGPJTM-CECHPXHVSA-N
Molecular Weight 424.647 g/mol
SMILES [C@@](\C=N\N1[C@](COC)(CCC1)[H])(SCc1ccccc1)(Cc1ccc(C(C)(C)C)cc1)[H]
SPLASH splash10-0ufr-1039000000-df200f1225ee9005681a
Source of Spectrum K1-2003-3932-6
Wiley ID 1521561