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3-Pyrrolidinol, 2-(iodomethyl)-1-[(4-methylphenyl)sulfonyl]-, cis-
SpectraBase Compound ID BzBjYRyiE8N
InChI InChI=1S/C12H16INO3S/c1-9-2-4-10(5-3-9)18(16,17)14-7-6-12(15)11(14)8-13/h2-5,11-12,15H,6-8H2,1H3/t11-,12-/m1/s1
InChIKey DUMUIBHXCIBGTK-VXGBXAGGSA-N
Mol Weight 381.23 g/mol
Molecular Formula C12H16INO3S
Exact Mass 380.98956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GVarNzgvi1u
Name 3-Pyrrolidinol, 2-(iodomethyl)-1-[(4-methylphenyl)sulfonyl]-, cis-
Alternate Name(s) (2S,3R)-2-(iodomethyl)-1-[(4-methylphenyl)sulfonyl]-3-pyrrolidinol cis-N-(p-toylsulfonyl)-2-(iodomethyl)-3-hydroxypyrrolidine
CAS Registry Number 90778-69-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16INO3S
InChI InChI=1S/C12H16INO3S/c1-9-2-4-10(5-3-9)18(16,17)14-7-6-12(15)11(14)8-13/h2-5,11-12,15H,6-8H2,1H3/t11-,12-/m1/s1
InChIKey DUMUIBHXCIBGTK-VXGBXAGGSA-N
Molecular Weight 381.228 g/mol
SMILES O[C@]1([C@](N(S(c2ccc(cc2)C)(=O)=O)CC1)(CI)[H])[H]
SPLASH splash10-0zfu-1290000000-a9aac0ab3a2a4d64d054
Source of Spectrum J-53-5497-3
Wiley ID 1360053