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(2-oxidanylidene-2-pyridin-2-yl-ethyl) 4-methylbenzenesulfonate
SpectraBase Compound ID FnsM9dPA9ad
InChI InChI=1S/C14H13NO4S/c1-11-5-7-12(8-6-11)20(17,18)19-10-14(16)13-4-2-3-9-15-13/h2-9H,10H2,1H3
InChIKey HCTWYZICSHIKTH-UHFFFAOYSA-N
Mol Weight 291.32 g/mol
Molecular Formula C14H13NO4S
Exact Mass 291.056529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CYEY4jrf3Nf
Name (2-oxidanylidene-2-pyridin-2-yl-ethyl) 4-methylbenzenesulfonate
Alternate Name(s) (2-oxo-2-pyridin-2-ylethyl) 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [2-oxo-2-(2-pyridinyl)ethyl] ester [2-oxo-2-(2-pyridyl)ethyl] 4-methylbenzenesulfonate
CAS Registry Number 118921-61-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13NO4S
InChI InChI=1S/C14H13NO4S/c1-11-5-7-12(8-6-11)20(17,18)19-10-14(16)13-4-2-3-9-15-13/h2-9H,10H2,1H3
InChIKey HCTWYZICSHIKTH-UHFFFAOYSA-N
Molecular Weight 291.321 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)C(c1ncccc1)=O
SPLASH splash10-000i-2900000000-8e0e583f54e4c29c0229
Source of Spectrum J-54-1103-5
Wiley ID 1294413