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(R,R)-{[2'-(Benzylsulfanyl)-2'-(o-tolyl)ethyl]pentyl}-[2(S)-(methoxymethyl)pyrrolidin-1-yl]amine
SpectraBase Compound ID 3u2wCkhFImI
InChI InChI=1S/C27H40N2OS/c1-4-5-15-24(28-29-18-11-16-25(29)20-30-3)19-27(26-17-10-9-12-22(26)2)31-21-23-13-7-6-8-14-23/h6-10,12-14,17,24-25,27-28H,4-5,11,15-16,18-21H2,1-3H3/t24-,25+,27-/m1/s1
InChIKey KJXQBXATXAUISH-CMTIAEDTSA-N
Mol Weight 440.7 g/mol
Molecular Formula C27H40N2OS
Exact Mass 440.286135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6W8SFwcD7YR
Name (R,R)-{[2'-(Benzylsulfanyl)-2'-(o-tolyl)ethyl]pentyl}-[2(S)-(methoxymethyl)pyrrolidin-1-yl]amine
Alternate Name(s) (2S)-N-{(1R)-1-[(2R)-2-(benzylsulfanyl)-2-(2-methylphenyl)ethyl]pentyl}-2-(methoxymethyl)-1-pyrrolidinamine N-{(1R)-1-[(2R)-2-(benzylsulfanyl)-2-(2-methylphenyl)ethyl]pentyl}-N-[(2S)-2-(methoxymethyl)pyrrolidinyl]amine {[2'-(Benzylsulfanyl)-2'-(o-tolyl)ethyl]pentyl}-[2-(methoxymethyl)pyrrolidin-1-yl]amine
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Formula C27H40N2OS
InChI InChI=1S/C27H40N2OS/c1-4-5-15-24(28-29-18-11-16-25(29)20-30-3)19-27(26-17-10-9-12-22(26)2)31-21-23-13-7-6-8-14-23/h6-10,12-14,17,24-25,27-28H,4-5,11,15-16,18-21H2,1-3H3/t24-,25+,27-/m1/s1
InChIKey KJXQBXATXAUISH-CMTIAEDTSA-N
Molecular Weight 440.690 g/mol
SMILES N(N1[C@](COC)(CCC1)[H])[C@@](C[C@](c1c(C)cccc1)(SCc1ccccc1)[H])(CCCC)[H]
SPLASH splash10-0002-2910100000-1b40fe4530f96b36d2cb
Source of Spectrum K1-2003-3933-7
Wiley ID 1521558