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4-Trifluoroacetyl-benzoic acid, heptyl ester
SpectraBase Compound ID KLch99ACJpK
InChI InChI=1S/C16H19F3O3/c1-2-3-4-5-6-11-22-15(21)13-9-7-12(8-10-13)14(20)16(17,18)19/h7-10H,2-6,11H2,1H3
InChIKey CQFKNHZFYMLLPK-UHFFFAOYSA-N
Mol Weight 316.32 g/mol
Molecular Formula C16H19F3O3
Exact Mass 316.128629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GgRh9EZ71pu
Name 4-Trifluoroacetyl-benzoic acid, heptyl ester
CAS Registry Number 129476-47-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19F3O3
InChI InChI=1S/C16H19F3O3/c1-2-3-4-5-6-11-22-15(21)13-9-7-12(8-10-13)14(20)16(17,18)19/h7-10H,2-6,11H2,1H3
InChIKey CQFKNHZFYMLLPK-UHFFFAOYSA-N
Molecular Weight 316.320 g/mol
SMILES C(=O)(c1ccc(C(OCCCCCCC)=O)cc1)C(F)(F)F
SPLASH splash10-1001-9240000000-a924008f6b214f7d449b
Synonyms 4-(2,2,2-trifluoro-1-oxoethyl)benzoic acid heptyl ester 4-(2,2,2-trifluoroacetyl)benzoic acid heptyl ester Heptyl 4-(2,2,2-trifluoroacetyl)benzoate Heptyl 4-(trifluoroacetyl)benzoate Heptyl 4-[2,2,2-tris(fluoranyl)ethanoyl]benzoate
Wiley ID 1480368