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3-Pyrrolidinol, 2-(iodomethyl)-2-methyl-1-[(4-methylphenyl)sulfonyl]-, cis-
SpectraBase Compound ID D5Vi3f8Loi8
InChI InChI=1S/C13H18INO3S/c1-10-3-5-11(6-4-10)19(17,18)15-8-7-12(16)13(15,2)9-14/h3-6,12,16H,7-9H2,1-2H3/t12-,13+/m1/s1
InChIKey QEFIUNRNKUOHLY-OLZOCXBDSA-N
Mol Weight 395.26 g/mol
Molecular Formula C13H18INO3S
Exact Mass 395.00521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GswkpHS25L2
Name 3-Pyrrolidinol, 2-(iodomethyl)-2-methyl-1-[(4-methylphenyl)sulfonyl]-, cis-
CAS Registry Number 90778-71-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18INO3S
InChI InChI=1S/C13H18INO3S/c1-10-3-5-11(6-4-10)19(17,18)15-8-7-12(16)13(15,2)9-14/h3-6,12,16H,7-9H2,1-2H3/t12-,13+/m1/s1
InChIKey QEFIUNRNKUOHLY-OLZOCXBDSA-N
Molecular Weight 395.255 g/mol
SMILES O[C@]1([C@@](N(S(c2ccc(cc2)C)(=O)=O)CC1)(CI)C)[H]
SPLASH splash10-0uxr-1290000000-afdefd566465f09ef481
Source of Spectrum J-53-5497-3
Synonyms (2R,3R)-2-(iodomethyl)-2-methyl-1-[(4-methylphenyl)sulfonyl]-3-pyrrolidinol cis-N-(p-toylsulfonyl)-2-methyl-2-(iodomethyl)-3-hydroxypyrrolidine
Wiley ID 1366951