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(3R,5R)-2-tert-Butoxycarbonyl-5-butyl-1-(4-nitrophenylsulfonyl)pyrazolidin-3-ol
SpectraBase Compound ID CSdmf1a5PrV
InChI InChI=1S/C18H27N3O7S/c1-5-6-7-14-12-16(22)19(17(23)28-18(2,3)4)20(14)29(26,27)15-10-8-13(9-11-15)21(24)25/h8-11,14,16,22H,5-7,12H2,1-4H3/t14-,16-/m1/s1
InChIKey WNIIHAQLDXJRBO-GDBMZVCRSA-N
Mol Weight 429.49 g/mol
Molecular Formula C18H27N3O7S
Exact Mass 429.156971 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HftVs1GAJaJ
Name (3R,5R)-2-tert-Butoxycarbonyl-5-butyl-1-(4-nitrophenylsulfonyl)pyrazolidin-3-ol
Alternate Name(s) (3R,5R)-tert-butyl 3-butyl-5-hydroxy-2-((4-nitrophenyl)sulfonyl)pyrazolidine-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27N3O7S
InChI InChI=1S/C18H27N3O7S/c1-5-6-7-14-12-16(22)19(17(23)28-18(2,3)4)20(14)29(26,27)15-10-8-13(9-11-15)21(24)25/h8-11,14,16,22H,5-7,12H2,1-4H3/t14-,16-/m1/s1
InChIKey WNIIHAQLDXJRBO-GDBMZVCRSA-N
Literature Reference DOI 10.1002/adsc.201100722
Molecular Weight 429.488 g/mol
SMILES O[C@]1(N(C(OC(C)(C)C)=O)N(S(=O)(=O)c2ccc(cc2)[N+](=O)[O-])[C@@](C1)(CCCC)[H])[H]
SPLASH splash10-001i-9100000000-af6c0d4e9c6c52c16bc7
Source of Spectrum ASC-354-371/SM5-4i
Wiley ID 1762864