Methyl 4-[(difluoromethyl)thio]benzoate

SpectraBase Compound ID	DUgmYuGSFqT
InChI	InChI=1S/C9H8F2O2S/c1-13-8(12)6-2-4-7(5-3-6)14-9(10)11/h2-5,9H,1H3
InChIKey	ZPNSKYAIIGVUFI-UHFFFAOYSA-N Google Search
Mol Weight	218.22 g/mol
Molecular Formula	C9H8F2O2S
Exact Mass	218.021307 g/mol

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SpectraBase Spectrum ID	DpCK4NhUtks
Name	Methyl 4-[(difluoromethyl)thio]benzoate
Alternate Name(s)	Methyl 4-((difluoromethyl)thio)benzoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C9H8F2O2S
InChI	InChI=1S/C9H8F2O2S/c1-13-8(12)6-2-4-7(5-3-6)14-9(10)11/h2-5,9H,1H3
InChIKey	ZPNSKYAIIGVUFI-UHFFFAOYSA-N
Literature Reference DOI	10.1002/anie.201500899
Molecular Weight	218.218 g/mol
SMILES	c1(SC(F)F)ccc(cc1)C(OC)=O
SPLASH	splash10-00kr-0920000000-f446c75d23eb0a0a25a6
Source of Spectrum	ACI-54-5753/SMS27-30
Wiley ID	1761208