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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 5iey14RarC4
Name 4-TRIFLUOROACETYLBENZOIC ACID, HEPTYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H19O3F3
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 316.1281
SMILES CCCCCCCOC(c1ccc(C(C(F)(F)F)=O)cc1)=O
SPLASH splash10-1001-9240000000-7aa25e826a92dbb16ee8
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany