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Dodecyl 4-(trifluoromethyl)benzoate
SpectraBase Compound ID 8LKrOMS8BCP
InChI InChI=1S/C20H29F3O2/c1-2-3-4-5-6-7-8-9-10-11-16-25-19(24)17-12-14-18(15-13-17)20(21,22)23/h12-15H,2-11,16H2,1H3
InChIKey NXSGVRKPSCWOSY-UHFFFAOYSA-N
Mol Weight 358.45 g/mol
Molecular Formula C20H29F3O2
Exact Mass 358.211965 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4AjICd1nHs
Name Dodecyl 4-(trifluoromethyl)benzoate
Alternate Name(s) 4-Trifluoromethylbenzoic acid, dodecyl ester 4-(trifluoromethyl)benzoic acid dodecyl ester
CAS Registry Number 253882-70-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H29F3O2
InChI InChI=1S/C20H29F3O2/c1-2-3-4-5-6-7-8-9-10-11-16-25-19(24)17-12-14-18(15-13-17)20(21,22)23/h12-15H,2-11,16H2,1H3
InChIKey NXSGVRKPSCWOSY-UHFFFAOYSA-N
Molecular Weight 358.445 g/mol
SMILES CCCCCCCCCCCCOC(=O)c1ccc(C(F)(F)F)cc1
SPLASH splash10-0abc-9200000000-47a623c05a00e079c1ff
Source of Spectrum NP-13-569-0
Wiley ID 1110764