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(3R,5R)-2-tert-Butoxycarbonyl-1-(4-nitrophenylsulfonyl)-5-propylpyrazolidin-3-ol
SpectraBase Compound ID 6X2Mu8YbuzN
InChI InChI=1S/C17H25N3O7S/c1-5-6-13-11-15(21)18(16(22)27-17(2,3)4)19(13)28(25,26)14-9-7-12(8-10-14)20(23)24/h7-10,13,15,21H,5-6,11H2,1-4H3/t13-,15-/m1/s1
InChIKey WLWJWFPKLKEAHU-UKRRQHHQSA-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 BZEn2yozfbz
Name (3R,5R)-2-tert-Butoxycarbonyl-1-(4-nitrophenylsulfonyl)-5-propylpyrazolidin-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25N3O7S
InChI InChI=1S/C17H25N3O7S/c1-5-6-13-11-15(21)18(16(22)27-17(2,3)4)19(13)28(25,26)14-9-7-12(8-10-14)20(23)24/h7-10,13,15,21H,5-6,11H2,1-4H3/t13-,15-/m1/s1
InChIKey WLWJWFPKLKEAHU-UKRRQHHQSA-N
Literature Reference DOI 10.1002/adsc.201100722
Molecular Weight 415.461 g/mol
SMILES O[C@@]1(C[C@@](CCC)(N(S(=O)(=O)c2ccc(cc2)[N+](=O)[O-])N1C(OC(C)(C)C)=O)[H])[H]
SPLASH splash10-0pi0-4890000000-ffc4d1fe49ca9738ec2e
Source of Spectrum ASC-354-371/SM4-4h
Synonyms (3R,5R)-tert-butyl 5-hydroxy-2-((4-nitrophenyl)sulfonyl)-3-propylpyrazolidine-1-carboxylate (3R,5R)-5-hydroxy-2-(4-nitrophenyl)sulfonyl-3-propyl-1-pyrazolidinecarboxylic acid tert-butyl ester tert-Butyl (3R,5R)-5-hydroxy-2-(4-nitrophenyl)sulfonyl-3-propylpyrazolidine-1-carboxylate tert-Butyl (3R,5R)-5-hydroxy-2-(4-nitrophenyl)sulfonyl-3-propyl-pyrazolidine-1-carboxylate tert-Butyl (3R,5R)-2-(4-nitrophenyl)sulfonyl-5-oxidanyl-3-propyl-pyrazolidine-1-carboxylate
Wiley ID 1762863