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(3S,4S)-1-[(4-Methylphenyl)sulfonyl]-4-[1-(3-nitrophenyl)ethenyl]-3-pyrrolidinol
SpectraBase Compound ID 4nxKKEElZVi
InChI InChI=1S/C19H20N2O5S/c1-13-6-8-17(9-7-13)27(25,26)20-11-18(19(22)12-20)14(2)15-4-3-5-16(10-15)21(23)24/h3-10,18-19,22H,2,11-12H2,1H3/t18-,19-/m1/s1
InChIKey PWRSZMCCAXYXQH-RTBURBONSA-N
Mol Weight 388.44 g/mol
Molecular Formula C19H20N2O5S
Exact Mass 388.109293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9IDWhrJ0MlV
Name (3S,4S)-1-[(4-Methylphenyl)sulfonyl]-4-[1-(3-nitrophenyl)ethenyl]-3-pyrrolidinol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20N2O5S
InChI InChI=1S/C19H20N2O5S/c1-13-6-8-17(9-7-13)27(25,26)20-11-18(19(22)12-20)14(2)15-4-3-5-16(10-15)21(23)24/h3-10,18-19,22H,2,11-12H2,1H3/t18-,19-/m1/s1
InChIKey PWRSZMCCAXYXQH-RTBURBONSA-N
Literature Reference DOI 10.1021/ol702966j
Molecular Weight 388.438 g/mol
SMILES O[C@]1([C@@](C(c2cc(ccc2)[N+](=O)[O-])=C)(CN(S(c2ccc(cc2)C)(=O)=O)C1)[H])[H]
SPLASH splash10-000x-9762000000-75b36b14949bf3ac345b
Source of Spectrum A1-10-1047/SMS22-2aH
Synonyms (3S,4S)-4-(1-(3-nitrophenyl)vinyl)-1-tosylpyrrolidin-3-ol
Wiley ID 1759108