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Methyl 6-[Chloro(difluoro)methyl]-2-hydroxy-4-methyl-3-(prop-2-en-1-yl)benzoate
SpectraBase Compound ID C0Y7sxON8lv
InChI InChI=1S/C13H13ClF2O3/c1-4-5-8-7(2)6-9(13(14,15)16)10(11(8)17)12(18)19-3/h4,6,17H,1,5H2,2-3H3
InChIKey SMXYRYTYOJMYTQ-UHFFFAOYSA-N
Mol Weight 290.69 g/mol
Molecular Formula C13H13ClF2O3
Exact Mass 290.052128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID NICsjmAswT
Name Methyl 6-[Chloro(difluoro)methyl]-2-hydroxy-4-methyl-3-(prop-2-en-1-yl)benzoate
Alternate Name(s) Methyl 3-allyl-6-(chlorodifluoromethyl)-2-hydroxy-4-methylbenzoate
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Formula C13H13ClF2O3
InChI InChI=1S/C13H13ClF2O3/c1-4-5-8-7(2)6-9(13(14,15)16)10(11(8)17)12(18)19-3/h4,6,17H,1,5H2,2-3H3
InChIKey SMXYRYTYOJMYTQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201100494
Molecular Weight 290.694 g/mol
SMILES Oc1c(C(=O)OC)c(cc(c1CC=C)C)C(F)(F)Cl
SPLASH splash10-052f-0290000000-8186166b33e2868285bc
Source of Spectrum H-95-1043-3j
Wiley ID 1784313