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(2R,5S)-2-heptyl-5-(iodanylmethyl)-1-(4-methylphenyl)sulfonyl-pyrrolidine
SpectraBase Compound ID Du3673neFMG
InChI InChI=1S/C19H30INO2S/c1-3-4-5-6-7-8-17-11-12-18(15-20)21(17)24(22,23)19-13-9-16(2)10-14-19/h9-10,13-14,17-18H,3-8,11-12,15H2,1-2H3/t17-,18+/m1/s1
InChIKey GOYUARKAIYIXRK-MSOLQXFVSA-N
Mol Weight 463.42 g/mol
Molecular Formula C19H30INO2S
Exact Mass 463.104195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 56HTc8bGvxK
Name (2R,5S)-2-heptyl-5-(iodanylmethyl)-1-(4-methylphenyl)sulfonyl-pyrrolidine
Alternate Name(s) (2R,5S)-2-heptyl-5-(iodomethyl)-1-(p-tolylsulfonyl)pyrrolidine (2R,5S)-2-heptyl-5-(iodomethyl)-1-tosyl-pyrrolidine
CAS Registry Number 109021-51-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H30INO2S
InChI InChI=1S/C19H30INO2S/c1-3-4-5-6-7-8-17-11-12-18(15-20)21(17)24(22,23)19-13-9-16(2)10-14-19/h9-10,13-14,17-18H,3-8,11-12,15H2,1-2H3/t17-,18+/m1/s1
InChIKey GOYUARKAIYIXRK-MSOLQXFVSA-N
Molecular Weight 463.418 g/mol
SMILES [C@]1(N(S(c2ccc(cc2)C)(=O)=O)[C@@](CC1)(CCCCCCC)[H])(CI)[H]
SPLASH splash10-052r-0591000000-52b239be80f99e7551f3
Source of Spectrum Y-23-1061-11
Wiley ID 1391267