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(2R,2'R,SS)-(N-Benzyloxycarbonyl)-2-[2'-(tert-butylsulfinamine)-4'-pentenyl]pyrrolidine
SpectraBase Compound ID J9PY5v2GuN7
InChI InChI=1S/C21H32N2O3S/c1-5-10-18(22-27(25)21(2,3)4)15-19-13-9-14-23(19)20(24)26-16-17-11-7-6-8-12-17/h5-8,11-12,18-19,22H,1,9-10,13-16H2,2-4H3/t18-,19-,27?/m1/s1
InChIKey FRTWHCXHYUQADT-RRKGKTDMSA-N
Mol Weight 392.6 g/mol
Molecular Formula C21H32N2O3S
Exact Mass 392.213364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C7RgzmLVjDg
Name (2R,2'R,SS)-(N-Benzyloxycarbonyl)-2-[2'-(tert-butylsulfinamine)-4'-pentenyl]pyrrolidine
Alternate Name(s) (R)-benzyl 2-((R)-2-((S)-1,1-dimethylethylsulfinamido)pent-4-en-1-yl)pyrrolidine-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32N2O3S
InChI InChI=1S/C21H32N2O3S/c1-5-10-18(22-27(25)21(2,3)4)15-19-13-9-14-23(19)20(24)26-16-17-11-7-6-8-12-17/h5-8,11-12,18-19,22H,1,9-10,13-16H2,2-4H3/t18-,19-,27?/m1/s1
InChIKey FRTWHCXHYUQADT-RRKGKTDMSA-N
Literature Reference DOI 10.1021/jo500446f
Molecular Weight 392.558 g/mol
SMILES N([C@@](C[C@@]1(N(C(OCc2ccccc2)=O)CCC1)[H])(CC=C)[H])[S@](C(C)(C)C)=O
SPLASH splash10-0006-9220000000-6eb549e53c21e915004a
Source of Spectrum J-79-3989-11
Wiley ID 1746212