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2-Ethylhexyl 4-(trifluoromethyl)benzoate
SpectraBase Compound ID Lt3z4PjSixx
InChI InChI=1S/C16H21F3O2/c1-3-5-6-12(4-2)11-21-15(20)13-7-9-14(10-8-13)16(17,18)19/h7-10,12H,3-6,11H2,1-2H3
InChIKey HIHUOUKCDYVAST-UHFFFAOYSA-N
Mol Weight 302.34 g/mol
Molecular Formula C16H21F3O2
Exact Mass 302.149364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID l83kGab3Zg
Name 2-Ethylhexyl 4-(trifluoromethyl)benzoate
Alternate Name(s) 4-Trifluoromethylbenzoic acid, 2-ethylhexyl ester
CAS Registry Number 59986-40-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21F3O2
InChI InChI=1S/C16H21F3O2/c1-3-5-6-12(4-2)11-21-15(20)13-7-9-14(10-8-13)16(17,18)19/h7-10,12H,3-6,11H2,1-2H3
InChIKey HIHUOUKCDYVAST-UHFFFAOYSA-N
Molecular Weight 302.337 g/mol
SMILES CCCCC(CC)COC(=O)c1ccc(C(F)(F)F)cc1
SPLASH splash10-05fr-9300000000-7511595175abdbce8a4e
Source of Spectrum NP-10-2110-0
Wiley ID 1108738