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Trans-4-[1-(4-methoxyphenyl)ethenyl]-1-[(4-methylphenyl)sulfonyl]-3-pyrrolidinol
SpectraBase Compound ID 23hpWNHfNlD
InChI InChI=1S/C20H23NO4S/c1-14-4-10-18(11-5-14)26(23,24)21-12-19(20(22)13-21)15(2)16-6-8-17(25-3)9-7-16/h4-11,19-20,22H,2,12-13H2,1,3H3/t19-,20+/m0/s1
InChIKey KWMSHYVXKFNXKA-VQTJNVASSA-N
Mol Weight 373.47 g/mol
Molecular Formula C20H23NO4S
Exact Mass 373.134779 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GwkwgrQuF85
Name Trans-4-[1-(4-methoxyphenyl)ethenyl]-1-[(4-methylphenyl)sulfonyl]-3-pyrrolidinol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 373.134779395 u
Formula C20H23NO4S
InChI InChI=1S/C20H23NO4S/c1-14-4-10-18(11-5-14)26(23,24)21-12-19(20(22)13-21)15(2)16-6-8-17(25-3)9-7-16/h4-11,19-20,22H,2,12-13H2,1,3H3/t19-,20+/m0/s1
InChIKey KWMSHYVXKFNXKA-VQTJNVASSA-N
Molecular Weight 373.467 g/mol
SMILES C1=CC(=CC=C1OC)C([C@]1([C@@](CN(C1)S(C1=CC=C(C=C1)C)(=O)=O)(O)[H])[H])=C