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(3R,5R,3'Z)-2-tert-Butoxycarbonyl-5-(hex-3-enyl)-1-(4-nitrophenylsulfonyl)pyrazolidin-3-ol
SpectraBase Compound ID 5m6dXqV1UXH
InChI InChI=1S/C20H29N3O7S/c1-5-6-7-8-9-16-14-18(24)21(19(25)30-20(2,3)4)22(16)31(28,29)17-12-10-15(11-13-17)23(26)27/h6-7,10-13,16,18,24H,5,8-9,14H2,1-4H3/b7-6-/t16-,18-/m1/s1
InChIKey HOHCYPKOIHQEQR-MYOVTOPRSA-N
Mol Weight 455.53 g/mol
Molecular Formula C20H29N3O7S
Exact Mass 455.172621 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7tUIhBeHqrA
Name (3R,5R,3'Z)-2-tert-Butoxycarbonyl-5-(hex-3-enyl)-1-(4-nitrophenylsulfonyl)pyrazolidin-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H29N3O7S
InChI InChI=1S/C20H29N3O7S/c1-5-6-7-8-9-16-14-18(24)21(19(25)30-20(2,3)4)22(16)31(28,29)17-12-10-15(11-13-17)23(26)27/h6-7,10-13,16,18,24H,5,8-9,14H2,1-4H3/b7-6-/t16-,18-/m1/s1
InChIKey HOHCYPKOIHQEQR-MYOVTOPRSA-N
Literature Reference DOI 10.1002/adsc.201100722
Molecular Weight 455.526 g/mol
SMILES O[C@]1(N(C(OC(C)(C)C)=O)N(S(=O)(=O)c2ccc(cc2)[N+](=O)[O-])[C@](CC\C=C/CC)(C1)[H])[H]
SPLASH splash10-001i-9300000000-f6df2a9642573d2720e3
Source of Spectrum ASC-354-371/SM8-4n
Synonyms (3R,5R)-tert-butyl 3-((Z)-hex-3-en-1-yl)-5-hydroxy-2-((4-nitrophenyl)sulfonyl)pyrazolidine-1-carboxylate
Wiley ID 1762868