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4-Methylbenzenesulfonic acid difluoromethyl ester
SpectraBase Compound ID t1JxZRRRzc
InChI InChI=1S/C8H8F2O3S/c1-6-2-4-7(5-3-6)14(11,12)13-8(9)10/h2-5,8H,1H3
InChIKey ZNMVZAWTNZJSGF-UHFFFAOYSA-N
Mol Weight 222.21 g/mol
Molecular Formula C8H8F2O3S
Exact Mass 222.016222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ag4b0FL4iil
Name 4-Methylbenzenesulfonic acid difluoromethyl ester
CAS Registry Number 14277-20-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H8F2O3S
InChI InChI=1S/C8H8F2O3S/c1-6-2-4-7(5-3-6)14(11,12)13-8(9)10/h2-5,8H,1H3
InChIKey ZNMVZAWTNZJSGF-UHFFFAOYSA-N
Molecular Weight 222.206 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)(F)F
SPLASH splash10-0abc-8930000000-ec6dcddec4d6106fa710
Source of Spectrum J-54-3026-9
Synonyms bis(fluoranyl)methyl 4-methylbenzenesulfonate difluoromethyl 4-methylbenzenesulfonate
Wiley ID 1221713