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(2RS,4SR,5RS)-4-Iodo-1-(4-tolylsulfonyl)-5-phenylpyrrolidine-2-methanol
SpectraBase Compound ID 7iUxjRIUZe6
InChI InChI=1S/C18H20INO3S/c1-13-7-9-16(10-8-13)24(22,23)20-15(12-21)11-17(19)18(20)14-5-3-2-4-6-14/h2-10,15,17-18,21H,11-12H2,1H3
InChIKey KMYSIQYPIMLPFM-UHFFFAOYSA-N
Mol Weight 457.33 g/mol
Molecular Formula C18H20INO3S
Exact Mass 457.02086 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KbVBGkdAMWu
Name (2RS,4SR,5RS)-4-Iodo-1-(4-tolylsulfonyl)-5-phenylpyrrolidine-2-methanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20INO3S
InChI InChI=1S/C18H20INO3S/c1-13-7-9-16(10-8-13)24(22,23)20-15(12-21)11-17(19)18(20)14-5-3-2-4-6-14/h2-10,15,17-18,21H,11-12H2,1H3
InChIKey KMYSIQYPIMLPFM-UHFFFAOYSA-N
Molecular Weight 457.326 g/mol
SMILES OCC1N(S(c2ccc(cc2)C)(=O)=O)C(C(I)C1)c1ccccc1
SPLASH splash10-0006-9400300000-c9320bfca0fd5d21af90
Source of Spectrum K-2001-2881-13
Wiley ID 1580001