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Methyl 6-[Chloro(difluoro)methyl]-3-dodecyl-2-hydroxy-4-methylbenzoate
SpectraBase Compound ID 9EEFDxpnCbJ
InChI InChI=1S/C22H33ClF2O3/c1-4-5-6-7-8-9-10-11-12-13-14-17-16(2)15-18(22(23,24)25)19(20(17)26)21(27)28-3/h15,26H,4-14H2,1-3H3
InChIKey FPHQHSWCBCLDOW-UHFFFAOYSA-N
Mol Weight 419.0 g/mol
Molecular Formula C22H33ClF2O3
Exact Mass 418.208629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BuDskMsNPfQ
Name Methyl 6-[Chloro(difluoro)methyl]-3-dodecyl-2-hydroxy-4-methylbenzoate
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Formula C22H33ClF2O3
InChI InChI=1S/C22H33ClF2O3/c1-4-5-6-7-8-9-10-11-12-13-14-17-16(2)15-18(22(23,24)25)19(20(17)26)21(27)28-3/h15,26H,4-14H2,1-3H3
InChIKey FPHQHSWCBCLDOW-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201100494
Molecular Weight 418.953 g/mol
SMILES Oc1c(C(=O)OC)c(cc(c1CCCCCCCCCCCC)C)C(F)(F)Cl
SPLASH splash10-00di-0189100000-134029557c1442e05dbf
Source of Spectrum H-95-1045-3s
Synonyms Methyl 6-(chlorodifluoromethyl)-3-dodecyl-2-hydroxy-4-methylbenzoate
Wiley ID 1784322