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(3R,5S)-2-tert-Butoxycarbonyl-5-ethoxycarbonyl-1-(4-nitrophenylsulfonyl)pyrazolidin-3-ol
SpectraBase Compound ID L3cfYCsu4nc
InChI InChI=1S/C17H23N3O9S/c1-5-28-15(22)13-10-14(21)18(16(23)29-17(2,3)4)19(13)30(26,27)12-8-6-11(7-9-12)20(24)25/h6-9,13-14,21H,5,10H2,1-4H3/t13-,14+/m0/s1
InChIKey ZSFZNFJBJDIPFE-UONOGXRCSA-N
Mol Weight 445.44 g/mol
Molecular Formula C17H23N3O9S
Exact Mass 445.1155 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AVyNNSCqb10
Name (3R,5S)-2-tert-Butoxycarbonyl-5-ethoxycarbonyl-1-(4-nitrophenylsulfonyl)pyrazolidin-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23N3O9S
InChI InChI=1S/C17H23N3O9S/c1-5-28-15(22)13-10-14(21)18(16(23)29-17(2,3)4)19(13)30(26,27)12-8-6-11(7-9-12)20(24)25/h6-9,13-14,21H,5,10H2,1-4H3/t13-,14+/m0/s1
InChIKey ZSFZNFJBJDIPFE-UONOGXRCSA-N
Literature Reference DOI 10.1002/adsc.201100722
Molecular Weight 445.443 g/mol
SMILES O[C@]1(N(C(OC(C)(C)C)=O)N(S(=O)(c2ccc(cc2)[N+](=O)[O-])=O)[C@@](C1)(C(OCC)=O)[H])[H]
SPLASH splash10-0a4j-9500000000-ab847fb9a8a63154e118
Source of Spectrum ASC-354-371/SM9-4p
Synonyms (3S,5R)-1-tert-butyl 3-ethyl 5-hydroxy-2-((4-nitrophenyl)sulfonyl)pyrazolidine-1,3-dicarboxylate
Wiley ID 1762870