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Methyl 2-Hydroxy-4-tridecyl-6-(trifluoromethyl)benzoate
SpectraBase Compound ID 33TBR4FEwNs
InChI InChI=1S/C22H33F3O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15-18(22(23,24)25)20(19(26)16-17)21(27)28-2/h15-16,26H,3-14H2,1-2H3
InChIKey FMRYRECWVLEXRZ-UHFFFAOYSA-N
Mol Weight 402.5 g/mol
Molecular Formula C22H33F3O3
Exact Mass 402.238179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ifhv74F7as3
Name Methyl 2-Hydroxy-4-tridecyl-6-(trifluoromethyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H33F3O3
InChI InChI=1S/C22H33F3O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15-18(22(23,24)25)20(19(26)16-17)21(27)28-2/h15-16,26H,3-14H2,1-2H3
InChIKey FMRYRECWVLEXRZ-UHFFFAOYSA-N
Molecular Weight 402.498 g/mol
SMILES Oc1c(c(cc(c1)CCCCCCCCCCCCC)C(F)(F)F)C(=O)OC
SPLASH splash10-0uxr-0191200000-2e4ad0a317e1d0cd1d29
Source of Spectrum H-96-57-5ag
Wiley ID 1784500