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3-Pyrrolidinol, 2-(bromomethyl)-3-methyl-1-[(4-methylphenyl)sulfonyl]-, cis-
SpectraBase Compound ID 9fcRELyOK6V
InChI InChI=1S/C13H18BrNO3S/c1-10-3-5-11(6-4-10)19(17,18)15-8-7-13(2,16)12(15)9-14/h3-6,12,16H,7-9H2,1-2H3/t12-,13-/m1/s1
InChIKey CSMVZSMOQUBBOB-CHWSQXEVSA-N
Mol Weight 348.26 g/mol
Molecular Formula C13H18BrNO3S
Exact Mass 347.019078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H5CsqTPS38o
Name 3-Pyrrolidinol, 2-(bromomethyl)-3-methyl-1-[(4-methylphenyl)sulfonyl]-, cis-
Alternate Name(s) (2S,3R)-2-(bromomethyl)-3-methyl-1-[(4-methylphenyl)sulfonyl]-3-pyrrolidinol cis-N-(p-toylsulfonyl)-2-(bromomethyl)-3-hydroxy-3-methylpyrrolidine cis-N-(p-toylsulfonyl)-2-methyl-2-(bromomethyl)-3-hydroxypyrrolidine
CAS Registry Number 90778-57-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18BrNO3S
InChI InChI=1S/C13H18BrNO3S/c1-10-3-5-11(6-4-10)19(17,18)15-8-7-13(2,16)12(15)9-14/h3-6,12,16H,7-9H2,1-2H3/t12-,13-/m1/s1
InChIKey CSMVZSMOQUBBOB-CHWSQXEVSA-N
Molecular Weight 348.255 g/mol
SMILES O[C@]1([C@](N(S(c2ccc(cc2)C)(=O)=O)CC1)(CBr)[H])C
SPLASH splash10-066r-4690000000-36f69045155ab1fc3076
Source of Spectrum J-53-5497-3
Wiley ID 1339851