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(2R,2'R,SS)-(N-Benzyloxycarbonyl)-2-[(2'-tert-butylsulfinamine)-4'-heptenyl]pyrrolidine
SpectraBase Compound ID 5NykhES6S3B
InChI InChI=1S/C23H36N2O3S/c1-5-6-8-14-20(24-29(27)23(2,3)4)17-21-15-11-16-25(21)22(26)28-18-19-12-9-7-10-13-19/h6-10,12-13,20-21,24H,5,11,14-18H2,1-4H3/b8-6+/t20-,21-,29?/m1/s1
InChIKey GOIJFXORNHSSPJ-CQBYOBPESA-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 8SCWnnfM5Z
Name (2R,2'R,SS)-(N-Benzyloxycarbonyl)-2-[(2'-tert-butylsulfinamine)-4'-heptenyl]pyrrolidine
Alternate Name(s) (R)-benzyl 2-((R,E)-2-((S)-1,1-dimethylethylsulfinamido)hept-4-en-1-yl)pyrrolidine-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36N2O3S
InChI InChI=1S/C23H36N2O3S/c1-5-6-8-14-20(24-29(27)23(2,3)4)17-21-15-11-16-25(21)22(26)28-18-19-12-9-7-10-13-19/h6-10,12-13,20-21,24H,5,11,14-18H2,1-4H3/b8-6+/t20-,21-,29?/m1/s1
InChIKey GOIJFXORNHSSPJ-CQBYOBPESA-N
Literature Reference DOI 10.1021/jo500446f
Molecular Weight 420.612 g/mol
SMILES N([S@@](=O)C(C)(C)C)[C@@](C[C@@]1(N(CCC1)C(OCc1ccccc1)=O)[H])(C\C=C\CC)[H]
SPLASH splash10-0006-9310000000-dce11402c5ebde534afb
Source of Spectrum J-79-3989-13
Wiley ID 1746214