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Methyl (2RS,4SR,5SR)-4-iodo-1-(4-tolylsulfonyl)-5-phenylpyrrolidine-2-carboxylate
SpectraBase Compound ID BfQLHnVvU0P
InChI InChI=1S/C19H20INO4S/c1-13-8-10-15(11-9-13)26(23,24)21-17(19(22)25-2)12-16(20)18(21)14-6-4-3-5-7-14/h3-11,16-18H,12H2,1-2H3/t16-,17-,18+/m0/s1
InChIKey FSIRFCBYHUZGPP-OKZBNKHCSA-N
Mol Weight 485.34 g/mol
Molecular Formula C19H20INO4S
Exact Mass 485.015774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3gbGv15V7M5
Name Methyl (2RS,4SR,5SR)-4-iodo-1-(4-tolylsulfonyl)-5-phenylpyrrolidine-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20INO4S
InChI InChI=1S/C19H20INO4S/c1-13-8-10-15(11-9-13)26(23,24)21-17(19(22)25-2)12-16(20)18(21)14-6-4-3-5-7-14/h3-11,16-18H,12H2,1-2H3/t16-,17-,18+/m0/s1
InChIKey FSIRFCBYHUZGPP-OKZBNKHCSA-N
Molecular Weight 485.336 g/mol
SMILES c1(S(N2[C@@](C[C@@]([C@]2(c2ccccc2)[H])(I)[H])(C(=O)OC)[H])(=O)=O)ccc(cc1)C
SPLASH splash10-0006-9500200000-42be5b0c39e910c8d8a0
Source of Spectrum K-2001-2880-12
Wiley ID 1580004