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Methyl 6-[Chloro(difluoro)methyl]-3-hexadecyl-2-hydroxy-4-methylbenzoate
SpectraBase Compound ID 65ba0BDBD0j
InChI InChI=1S/C26H41ClF2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-20(2)19-22(26(27,28)29)23(24(21)30)25(31)32-3/h19,30H,4-18H2,1-3H3
InChIKey LEDROBCCQYJKFV-UHFFFAOYSA-N
Mol Weight 475.1 g/mol
Molecular Formula C26H41ClF2O3
Exact Mass 474.271229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3xcxAAfv0oh
Name Methyl 6-[Chloro(difluoro)methyl]-3-hexadecyl-2-hydroxy-4-methylbenzoate
Alternate Name(s) Methyl 6-(chlorodifluoromethyl)-3-hexadecyl-2-hydroxy-4-methylbenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H41ClF2O3
InChI InChI=1S/C26H41ClF2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-20(2)19-22(26(27,28)29)23(24(21)30)25(31)32-3/h19,30H,4-18H2,1-3H3
InChIKey LEDROBCCQYJKFV-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201100494
Molecular Weight 475.061 g/mol
SMILES Oc1c(C(=O)OC)c(cc(c1CCCCCCCCCCCCCCCC)C)C(F)(F)Cl
SPLASH splash10-004i-3170900000-129156a85ea6015e23e5
Source of Spectrum H-95-1045-3t
Wiley ID 1784323