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Methyl 4-(difluoromethyl)benzoate
SpectraBase Compound ID H8bvd8umbSk
InChI InChI=1S/C9H8F2O2/c1-13-9(12)7-4-2-6(3-5-7)8(10)11/h2-5,8H,1H3
InChIKey CTUNEFJJWFAGEP-UHFFFAOYSA-N
Mol Weight 186.16 g/mol
Molecular Formula C9H8F2O2
Exact Mass 186.049236 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1KPerKcwDRU
Name Methyl 4-(difluoromethyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8F2O2
InChI InChI=1S/C9H8F2O2/c1-13-9(12)7-4-2-6(3-5-7)8(10)11/h2-5,8H,1H3
InChIKey CTUNEFJJWFAGEP-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol5030037
Molecular Weight 186.158 g/mol
SMILES c1c(C(OC)=O)ccc(C(F)F)c1
SPLASH splash10-0a4i-0900000000-e91a178523c2dd265e8f
Source of Spectrum A1-16-5984/SMS12-17
Synonyms Methyl 4-[bis(fluoranyl)methyl]benzoate
Wiley ID 1756177