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N-(p-toylsulfonyl)-2(S)-[1'(R)-iodoethyl]-3(R)-hydroxypyrrolidine
SpectraBase Compound ID 3yeAMXXbAtJ
InChI InChI=1S/C13H18INO3S/c1-9-3-5-11(6-4-9)19(17,18)15-8-7-12(16)13(15)10(2)14/h3-6,10,12-13,16H,7-8H2,1-2H3/t10-,12-,13-/m1/s1
InChIKey JKQHSVUVKYZTQK-RAIGVLPGSA-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 LVeg9aIuY3b
Name N-(p-toylsulfonyl)-2(S)-[1'(R)-iodoethyl]-3(R)-hydroxypyrrolidine
CAS Registry Number 117754-61-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18INO3S
InChI InChI=1S/C13H18INO3S/c1-9-3-5-11(6-4-9)19(17,18)15-8-7-12(16)13(15)10(2)14/h3-6,10,12-13,16H,7-8H2,1-2H3/t10-,12-,13-/m1/s1
InChIKey JKQHSVUVKYZTQK-RAIGVLPGSA-N
Molecular Weight 395.255 g/mol
SMILES O[C@]1([C@](N(S(c2ccc(cc2)C)(=O)=O)CC1)([C@](I)(C)[H])[H])[H]
SPLASH splash10-0006-1290000000-4b3b465e37ba35cabd75
Source of Spectrum J-53-5497-3
Synonyms (2S,3R)-2-(1-iodoethyl)-1-[(4-methylphenyl)sulfonyl]-3-pyrrolidinol
Wiley ID 1366950