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(3R,5S)-2-tert-Butoxycarbonyl-5-isopropyl-1-(4-nitrophenylsulfonyl)pyrazolidin-3-ol
SpectraBase Compound ID HENfOP3erY2
InChI InChI=1S/C17H25N3O7S/c1-11(2)14-10-15(21)18(16(22)27-17(3,4)5)19(14)28(25,26)13-8-6-12(7-9-13)20(23)24/h6-9,11,14-15,21H,10H2,1-5H3/t14-,15+/m0/s1
InChIKey JDXBHXFARQFHBM-LSDHHAIUSA-N
Mol Weight 415.46 g/mol
Molecular Formula C17H25N3O7S
Exact Mass 415.141321 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A27fW7Bl8B6
Name (3R,5S)-2-tert-Butoxycarbonyl-5-isopropyl-1-(4-nitrophenylsulfonyl)pyrazolidin-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25N3O7S
InChI InChI=1S/C17H25N3O7S/c1-11(2)14-10-15(21)18(16(22)27-17(3,4)5)19(14)28(25,26)13-8-6-12(7-9-13)20(23)24/h6-9,11,14-15,21H,10H2,1-5H3/t14-,15+/m0/s1
InChIKey JDXBHXFARQFHBM-LSDHHAIUSA-N
Literature Reference DOI 10.1002/adsc.201100722
Molecular Weight 415.461 g/mol
SMILES O[C@@]1(C[C@@](C(C)C)(N(S(=O)(c2ccc(cc2)[N+](=O)[O-])=O)N1C(OC(C)(C)C)=O)[H])[H]
SPLASH splash10-0uki-1950000000-ce014b90e1d695e64553
Source of Spectrum ASC-354-371/SM9-4o
Synonyms (3S,5R)-tert-butyl 5-hydroxy-3-isopropyl-2-((4-nitrophenyl)sulfonyl)pyrazolidine-1-carboxylate
Wiley ID 1762869