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(3R,5R)-2-tert-Butoxycarbonyl-5-ethyl-1-(4-nitrophenylsulfonyl)pyrazolidin-3-ol
SpectraBase Compound ID CwkxUe3PD7X
InChI InChI=1S/C16H23N3O7S/c1-5-11-10-14(20)17(15(21)26-16(2,3)4)18(11)27(24,25)13-8-6-12(7-9-13)19(22)23/h6-9,11,14,20H,5,10H2,1-4H3/t11-,14-/m1/s1
InChIKey OGFBKZCPUNDVSH-BXUZGUMPSA-N
Mol Weight 401.43 g/mol
Molecular Formula C16H23N3O7S
Exact Mass 401.125671 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KWbHhUEMlSp
Name (3R,5R)-2-tert-Butoxycarbonyl-5-ethyl-1-(4-nitrophenylsulfonyl)pyrazolidin-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23N3O7S
InChI InChI=1S/C16H23N3O7S/c1-5-11-10-14(20)17(15(21)26-16(2,3)4)18(11)27(24,25)13-8-6-12(7-9-13)19(22)23/h6-9,11,14,20H,5,10H2,1-4H3/t11-,14-/m1/s1
InChIKey OGFBKZCPUNDVSH-BXUZGUMPSA-N
Literature Reference DOI 10.1002/adsc.201100722
Molecular Weight 401.434 g/mol
SMILES O[C@@]1(C[C@@](CC)(N(S(=O)(=O)c2ccc(cc2)[N+](=O)[O-])N1C(=O)OC(C)(C)C)[H])[H]
SPLASH splash10-053s-9100000000-9b4a2bc5738d48f84a70
Source of Spectrum ASC-354-371/SM3-4f
Synonyms (3R,5R)-tert-butyl 3-ethyl-5-hydroxy-2-((4-nitrophenyl)sulfonyl)pyrazolidine-1-carboxylate
Wiley ID 1762861