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(3R*,5R*)-5-Octyl-2-(p-tolylsulfonyl)-3-[(E)-styryl]-isoxazolidine
SpectraBase Compound ID Gxx1e2usgLJ
InChI InChI=1S/C27H37NO3S/c1-3-4-5-6-7-8-12-15-26-22-25(19-18-24-13-10-9-11-14-24)28(31-26)32(29,30)27-20-16-23(2)17-21-27/h9-11,13-14,16-21,25-26H,3-8,12,15,22H2,1-2H3/b19-18+
InChIKey MAZYEYBXIRHJED-VHEBQXMUSA-N
Mol Weight 455.7 g/mol
Molecular Formula C27H37NO3S
Exact Mass 455.249415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K2IRT2cV4vB
Name (3R*,5R*)-5-Octyl-2-(p-tolylsulfonyl)-3-[(E)-styryl]-isoxazolidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H37NO3S
InChI InChI=1S/C27H37NO3S/c1-3-4-5-6-7-8-12-15-26-22-25(19-18-24-13-10-9-11-14-24)28(31-26)32(29,30)27-20-16-23(2)17-21-27/h9-11,13-14,16-21,25-26H,3-8,12,15,22H2,1-2H3/b19-18+
InChIKey MAZYEYBXIRHJED-VHEBQXMUSA-N
Literature Reference DOI 10.1021/jo401627p
Molecular Weight 455.657 g/mol
SMILES C1(N(OC(C1)CCCCCCCCC)S(c1ccc(cc1)C)(=O)=O)\C=C\c1ccccc1
SPLASH splash10-0002-9610000000-5a4ce3467cc5c9ff051a
Source of Spectrum J-78-10284-2g
Synonyms (E)-5-nonyl-3-styryl-2-tosylisoxazolidine
Wiley ID 1745800