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(S)-(+)-5-(Hydroxymethyl)-2-pyrrolidinone p-toluenesulfonate

View entire compound with spectra: 2 NMR, 1 FTIR, and 2 MS (GC)

(S)-(+)-5-(Hydroxymethyl)-2-pyrrolidinone p-toluenesulfonate
SpectraBase Compound ID Blcr5JZsNJ4
InChI InChI=1S/C12H15NO4S/c1-9-2-5-11(6-3-9)18(15,16)17-8-10-4-7-12(14)13-10/h2-3,5-6,10H,4,7-8H2,1H3,(H,13,14)/t10-/m0/s1
InChIKey AMZNHHZJURKRFX-JTQLQIEISA-N
Mol Weight 269.31 g/mol
Molecular Formula C12H15NO4S
Exact Mass 269.072179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2IcgaAHohEG
Name [(2S)-5-oxidanylidenepyrrolidin-2-yl]methyl 4-methylbenzenesulfonate
Alternate Name(s) [(2S)-5-oxopyrrolidin-2-yl]methyl 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [(2S)-5-oxo-2-pyrrolidinyl]methyl ester
CAS Registry Number 51693-17-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO4S
InChI InChI=1S/C12H15NO4S/c1-9-2-5-11(6-3-9)18(15,16)17-8-10-4-7-12(14)13-10/h2-3,5-6,10H,4,7-8H2,1H3,(H,13,14)/t10-/m0/s1
InChIKey AMZNHHZJURKRFX-JTQLQIEISA-N
Molecular Weight 269.315 g/mol
SMILES N1C(CC[C@]1(COS(c1ccc(cc1)C)(=O)=O)[H])=O
SPLASH splash10-001i-9000000000-3a46f76d0dbe23d38135
Source of Spectrum J-56-1402-31
Wiley ID 1273038