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(3S,4S)-4-[1-(4-Acetyphenyl)ethenyl]-1-[(4-methylphenyl)sulfonyl]-3-pyrrolidinol

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(3S,4S)-4-[1-(4-Acetyphenyl)ethenyl]-1-[(4-methylphenyl)sulfonyl]-3-pyrrolidinol
SpectraBase Compound ID GuRraWJJC75
InChI InChI=1S/C21H23NO4S/c1-14-4-10-19(11-5-14)27(25,26)22-12-20(21(24)13-22)15(2)17-6-8-18(9-7-17)16(3)23/h4-11,20-21,24H,2,12-13H2,1,3H3/t20-,21-/m1/s1
InChIKey JVTNUTUTJLONEY-NHCUHLMSSA-N
Mol Weight 385.48 g/mol
Molecular Formula C21H23NO4S
Exact Mass 385.134779 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A7zpCl65GHa
Name (3S,4S)-4-[1-(4-Acetyphenyl)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 385.134779395 u
Formula C21H23NO4S
InChI InChI=1S/C21H23NO4S/c1-14-4-10-19(11-5-14)27(25,26)22-12-20(21(24)13-22)15(2)17-6-8-18(9-7-17)16(3)23/h4-11,20-21,24H,2,12-13H2,1,3H3/t20-,21-/m1/s1
InChIKey JVTNUTUTJLONEY-NHCUHLMSSA-N
Molecular Weight 385.478 g/mol
SMILES C1=CC(C([C@@]2([C@](O)(CN(S(C3=CC=C(C=C3)C)(=O)=O)C2)[H])[H])=C)=CC=C1C(=O)C