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(+/-)-(3S,4R)-3-Benzoyl-4-[(E)-3-phenylprop-1-en-1-yl]-1-[(4-methylphenyl)sulfo- nyl]pyrrolidine
SpectraBase Compound ID 3b0N6HFoiNU
InChI InChI=1S/C27H27NO3S/c1-21-15-17-25(18-16-21)32(30,31)28-19-24(14-8-11-22-9-4-2-5-10-22)26(20-28)27(29)23-12-6-3-7-13-23/h2-10,12-18,24,26H,11,19-20H2,1H3/b14-8+/t24-,26+/m0/s1
InChIKey SISBRWJFEAIWMB-HNSNRUDVSA-N
Mol Weight 445.58 g/mol
Molecular Formula C27H27NO3S
Exact Mass 445.171165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EzTA7gTtkbS
Name (+/-)-(3S,4R)-3-Benzoyl-4-[(E)-3-phenylprop-1-en-1-yl]-1-[(4-methylphenyl)sulfo- nyl]pyrrolidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H27NO3S
InChI InChI=1S/C27H27NO3S/c1-21-15-17-25(18-16-21)32(30,31)28-19-24(14-8-11-22-9-4-2-5-10-22)26(20-28)27(29)23-12-6-3-7-13-23/h2-10,12-18,24,26H,11,19-20H2,1H3/b14-8+/t24-,26+/m0/s1
InChIKey SISBRWJFEAIWMB-HNSNRUDVSA-N
Literature Reference DOI 10.1021/jo101148e
Molecular Weight 445.577 g/mol
SMILES C1[C@]([C@](CN1S(=O)(=O)c1ccc(cc1)C)(\C=C\Cc1ccccc1)[H])(C(=O)c1ccccc1)[H]
SPLASH splash10-052f-5953000000-e0ef61f8300cb5d1663b
Source of Spectrum J-75-6031/SM10-2j
Synonyms Phenyl((3S,4R)-4-((E)-3-phenylprop-1-en-1-yl)-1-tosylpyrrolidin-3-yl)methanone [(3S,4R)-1-(4-methylphenyl)sulfonyl-4-[(E)-3-phenylprop-1-enyl]-3-pyrrolidinyl]-phenylmethanone [(3S,4R)-1-(4-methylphenyl)sulfonyl-4-[(E)-3-phenylprop-1-enyl]pyrrolidin-3-yl]-phenylmethanone Phenyl-[(3S,4R)-4-[(E)-3-phenylprop-1-enyl]-1-(p-tolylsulfonyl)pyrrolidin-3-yl]methanone [(3S,4R)-1-(4-methylphenyl)sulfonyl-4-[(E)-3-phenylprop-1-enyl]pyrrolidin-3-yl]-phenyl-methanone
Wiley ID 1751759