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2-Ethylhexyl 3-(trifluoromethyl)benzoate
SpectraBase Compound ID EQMkMMsePVj
InChI InChI=1S/C16H21F3O2/c1-3-5-7-12(4-2)11-21-15(20)13-8-6-9-14(10-13)16(17,18)19/h6,8-10,12H,3-5,7,11H2,1-2H3
InChIKey FBHGELHGAAHBNM-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 6cr52YKeOg7
Name 2-Ethylhexyl 3-(trifluoromethyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21F3O2
InChI InChI=1S/C16H21F3O2/c1-3-5-7-12(4-2)11-21-15(20)13-8-6-9-14(10-13)16(17,18)19/h6,8-10,12H,3-5,7,11H2,1-2H3
InChIKey FBHGELHGAAHBNM-UHFFFAOYSA-N
Molecular Weight 302.337 g/mol
SMILES c1cc(C(OCC(CC)CCCC)=O)cc(c1)C(F)(F)F
SPLASH splash10-00di-7900000000-f05bc703026edf7277d4
Source of Spectrum NP-10-2104-0
Synonyms 3-Trifluoromethylbenzoic acid, 2-ethylhexyl ester
Wiley ID 1108736