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(2R,2'S,RS)-(N-Benzyloxycarbonyl)-2-[(2'-tert-butylsulfinamide)-4'-heptenyl]piperidine
SpectraBase Compound ID 2OZ6XdU0agb
InChI InChI=1S/C24H38N2O3S/c1-5-6-8-15-21(25-30(28)24(2,3)4)18-22-16-11-12-17-26(22)23(27)29-19-20-13-9-7-10-14-20/h6-10,13-14,21-22,25H,5,11-12,15-19H2,1-4H3/b8-6+/t21-,22-,30?/m1/s1
InChIKey AGQARYRYHMOLNK-LKMKLQSNSA-N
Mol Weight 434.6 g/mol
Molecular Formula C24H38N2O3S
Exact Mass 434.260314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4RbrIDTU980
Name (2R,2'S,RS)-(N-Benzyloxycarbonyl)-2-[(2'-tert-butylsulfinamide)-4'-heptenyl]piperidine
Alternate Name(s) (R)-benzyl 2-((R,E)-2-((R)-1,1-dimethylethylsulfinamido)hept-4-en-1-yl)piperidine-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H38N2O3S
InChI InChI=1S/C24H38N2O3S/c1-5-6-8-15-21(25-30(28)24(2,3)4)18-22-16-11-12-17-26(22)23(27)29-19-20-13-9-7-10-14-20/h6-10,13-14,21-22,25H,5,11-12,15-19H2,1-4H3/b8-6+/t21-,22-,30?/m1/s1
InChIKey AGQARYRYHMOLNK-LKMKLQSNSA-N
Literature Reference DOI 10.1021/jo500446f
Molecular Weight 434.639 g/mol
SMILES N([C@@](C[C@@]1(N(C(OCc2ccccc2)=O)CCCC1)[H])(C\C=C\CC)[H])[S@](=O)C(C)(C)C
SPLASH splash10-006x-9530000000-74e6289e46af410a7885
Source of Spectrum J-79-3987-6
Wiley ID 1746216