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Tridecyl 3-(trifluoromethyl)benzoate
SpectraBase Compound ID 4nz1iZuSx44
InChI InChI=1S/C21H31F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-26-20(25)18-14-13-15-19(17-18)21(22,23)24/h13-15,17H,2-12,16H2,1H3
InChIKey VEGDZFRMVFLHLW-UHFFFAOYSA-N
Mol Weight 372.47 g/mol
Molecular Formula C21H31F3O2
Exact Mass 372.227615 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C87HtI03Dcg
Name Tridecyl 3-(trifluoromethyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31F3O2
InChI InChI=1S/C21H31F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-26-20(25)18-14-13-15-19(17-18)21(22,23)24/h13-15,17H,2-12,16H2,1H3
InChIKey VEGDZFRMVFLHLW-UHFFFAOYSA-N
Molecular Weight 372.472 g/mol
SMILES C(CCCCC)CCCCCCCOC(=O)c1cccc(C(F)(F)F)c1
SPLASH splash10-0596-9400000000-1773bfda853f60368059
Source of Spectrum NP-13-6180-0
Synonyms 3-Trifluoromethylbenzoic acid, tridecyl ester
Wiley ID 1111173