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Methyl (2RS,4RS,5SR)-4-iodo-1-(4-tolylsulfonyl)-5-propylpyrrolidine-2-carboxylate
SpectraBase Compound ID 2Cqk4lL3rlq
InChI InChI=1S/C16H22INO4S/c1-4-5-14-13(17)10-15(16(19)22-3)18(14)23(20,21)12-8-6-11(2)7-9-12/h6-9,13-15H,4-5,10H2,1-3H3/t13-,14+,15-/m0/s1
InChIKey LTJFUUYXFFRSNY-ZNMIVQPWSA-N
Mol Weight 451.32 g/mol
Molecular Formula C16H22INO4S
Exact Mass 451.031424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5MvUTsAjroz
Name Methyl (2RS,4RS,5SR)-4-iodo-1-(4-tolylsulfonyl)-5-propylpyrrolidine-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22INO4S
InChI InChI=1S/C16H22INO4S/c1-4-5-14-13(17)10-15(16(19)22-3)18(14)23(20,21)12-8-6-11(2)7-9-12/h6-9,13-15H,4-5,10H2,1-3H3/t13-,14+,15-/m0/s1
InChIKey LTJFUUYXFFRSNY-ZNMIVQPWSA-N
Molecular Weight 451.319 g/mol
SMILES c1(S(N2[C@@](C[C@@]([C@]2(CCC)[H])(I)[H])(C(=O)OC)[H])(=O)=O)ccc(cc1)C
SPLASH splash10-0a4l-9515300000-95154b43d4698b63551f
Source of Spectrum K-2001-2880-12
Wiley ID 1580003