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2-Ethylcyclohexyl 3-(trifluoromethyl)benzoate
SpectraBase Compound ID EPPrJritsSQ
InChI InChI=1S/C16H19F3O2/c1-2-11-6-3-4-9-14(11)21-15(20)12-7-5-8-13(10-12)16(17,18)19/h5,7-8,10-11,14H,2-4,6,9H2,1H3
InChIKey SHFXEBAEQMJKNM-UHFFFAOYSA-N
Mol Weight 300.32 g/mol
Molecular Formula C16H19F3O2
Exact Mass 300.133714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7lBANzbrhNL
Name 2-Ethylcyclohexyl 3-(trifluoromethyl)benzoate
Alternate Name(s) 3-Trifluoromethylbenzoic acid, 2-ethylcyclohexyl ester (2-ethylcyclohexyl) 3-(trifluoromethyl)benzoate
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Formula C16H19F3O2
InChI InChI=1S/C16H19F3O2/c1-2-11-6-3-4-9-14(11)21-15(20)12-7-5-8-13(10-12)16(17,18)19/h5,7-8,10-11,14H,2-4,6,9H2,1H3
InChIKey SHFXEBAEQMJKNM-UHFFFAOYSA-N
Molecular Weight 300.321 g/mol
SMILES c1cc(C(OC2CCCCC2CC)=O)cc(c1)C(F)(F)F
SPLASH splash10-00di-2900000000-61f62af1c9740dce89ea
Source of Spectrum NP-10-987-0
Wiley ID 1108621