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(+)-(2S,1"R,2"S)-2-(Methoxymethyl-1-[ 1'-{3"-methyl-1"-[2"'-phenylsulfonyl)cyclopentylmethyl } butylideneamino ] pyrrolidine
SpectraBase Compound ID CkMk7tXo1iz
InChI InChI=1S/C23H36N2O3S/c1-4-9-20(24-25-15-8-10-21(25)17-28-3)16-19-14-13-18(2)23(19)29(26,27)22-11-6-5-7-12-22/h5-7,11-12,18-19,21,23H,4,8-10,13-17H2,1-3H3/b24-20-/t18?,19-,21+,23+/m1/s1
InChIKey XCSDFXWFEAAROC-OTHWWNKKSA-N
Mol Weight 420.6 g/mol
Molecular Formula C23H36N2O3S
Exact Mass 420.244664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AMR9wuj7qTp
Name (+)-(2S,1"R,2"S)-2-(Methoxymethyl-1-[ 1'-{3"-methyl-1"-[2"'-phenylsulfonyl)cyclopentylmethyl } butylideneamino ] pyrrolidine
Alternate Name(s) (+)-(2S,1''R,2''S)-2-(Methoxymethyl-1-[1'-{3''-methyl-1''-[2'''-phenylsulfonyl)cyclopentylmethyl} butylideneamino]pyrrolidine (2S)-2-(methoxymethyl)-N-((Z)-1-{[(1R,2S)-3-methyl-2-(phenylsulfonyl)cyclopentyl]methyl}butylidene)-1-pyrrolidinamine N-[(2S)-2-(methoxymethyl)pyrrolidinyl]-N-((Z)-1-{[(1R,2S)-3-methyl-2-(phenylsulfonyl)cyclopentyl]methyl}butylidene)amine
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Formula C23H36N2O3S
InChI InChI=1S/C23H36N2O3S/c1-4-9-20(24-25-15-8-10-21(25)17-28-3)16-19-14-13-18(2)23(19)29(26,27)22-11-6-5-7-12-22/h5-7,11-12,18-19,21,23H,4,8-10,13-17H2,1-3H3/b24-20-/t18?,19-,21+,23+/m1/s1
InChIKey XCSDFXWFEAAROC-OTHWWNKKSA-N
Molecular Weight 420.612 g/mol
SMILES [C@]1(S(=O)(=O)c2ccccc2)([C@@](C\C(=N/N2[C@](COC)(CCC2)[H])CCC)(CCC1C)[H])[H]
SPLASH splash10-004i-1039000000-6ec37db989f43f1d4922
Source of Spectrum K-126-1941-25
Wiley ID 1377975