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(3R,5R)-2-tert-Butoxycarbonyl-1-(4-nitrophenylsulfonyl)-5-pentylpyrazolidin-3-ol
SpectraBase Compound ID F6vc0rVlouf
InChI InChI=1S/C19H29N3O7S/c1-5-6-7-8-15-13-17(23)20(18(24)29-19(2,3)4)21(15)30(27,28)16-11-9-14(10-12-16)22(25)26/h9-12,15,17,23H,5-8,13H2,1-4H3/t15-,17-/m1/s1
InChIKey ZGUNKMZLDWQOQC-NVXWUHKLSA-N
Mol Weight 443.52 g/mol
Molecular Formula C19H29N3O7S
Exact Mass 443.172621 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID XxtgIenBsB
Name (3R,5R)-2-tert-Butoxycarbonyl-1-(4-nitrophenylsulfonyl)-5-pentylpyrazolidin-3-ol
Alternate Name(s) (3R,5R)-tert-butyl 5-hydroxy-2-((4-nitrophenyl)sulfonyl)-3-pentylpyrazolidine-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H29N3O7S
InChI InChI=1S/C19H29N3O7S/c1-5-6-7-8-15-13-17(23)20(18(24)29-19(2,3)4)21(15)30(27,28)16-11-9-14(10-12-16)22(25)26/h9-12,15,17,23H,5-8,13H2,1-4H3/t15-,17-/m1/s1
InChIKey ZGUNKMZLDWQOQC-NVXWUHKLSA-N
Literature Reference DOI 10.1002/adsc.201100722
Molecular Weight 443.515 g/mol
SMILES O[C@]1(N(C(OC(C)(C)C)=O)N(S(=O)(=O)c2ccc(cc2)[N+](=O)[O-])[C@@](C1)(CCCCC)[H])[H]
SPLASH splash10-053r-9200000000-8bacd7fb0306b7a244c9
Source of Spectrum ASC-354-371/SM6-4j
Wiley ID 1762865