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Ethyl 6-[Chloro(difluoro)methyl]-3-decyl-2-hydroxy-4-methylbenzoate
SpectraBase Compound ID Lltdx0QyNHz
InChI InChI=1S/C21H31ClF2O3/c1-4-6-7-8-9-10-11-12-13-16-15(3)14-17(21(22,23)24)18(19(16)25)20(26)27-5-2/h14,25H,4-13H2,1-3H3
InChIKey CWHHHMZMUKTPRC-UHFFFAOYSA-N
Mol Weight 404.93 g/mol
Molecular Formula C21H31ClF2O3
Exact Mass 404.192979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3srHNILckE8
Name Ethyl 6-[Chloro(difluoro)methyl]-3-decyl-2-hydroxy-4-methylbenzoate
Alternate Name(s) Ethyl 6-(chlorodifluoromethyl)-3-decyl-2-hydroxy-4-methylbenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31ClF2O3
InChI InChI=1S/C21H31ClF2O3/c1-4-6-7-8-9-10-11-12-13-16-15(3)14-17(21(22,23)24)18(19(16)25)20(26)27-5-2/h14,25H,4-13H2,1-3H3
InChIKey CWHHHMZMUKTPRC-UHFFFAOYSA-N
Molecular Weight 404.926 g/mol
SMILES Oc1c(C(=O)OCC)c(cc(c1CCCCCCCCCC)C)C(F)(F)Cl
SPLASH splash10-01ox-0079100000-fa1dd4712f3d3b992639
Source of Spectrum H-95-1045-3r
Wiley ID 1784321