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5-(3-Trifluoromethylbenzoyl)pyridine-4-carboxylic acid
SpectraBase Compound ID GwiI3Gtyqp8
InChI InChI=1S/C13H7F3N2O3/c14-13(15,16)8-3-1-2-7(4-8)11(19)9-5-17-18-6-10(9)12(20)21/h1-6H,(H,20,21)
InChIKey ZSPCYNQQFGVTBQ-UHFFFAOYSA-N
Mol Weight 296.21 g/mol
Molecular Formula C13H7F3N2O3
Exact Mass 296.040877 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7BRDTkvft2r
Name 5-(3-Trifluoromethylbenzoyl)pyridine-4-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H7F3N2O3
InChI InChI=1S/C13H7F3N2O3/c14-13(15,16)8-3-1-2-7(4-8)11(19)9-5-17-18-6-10(9)12(20)21/h1-6H,(H,20,21)
InChIKey ZSPCYNQQFGVTBQ-UHFFFAOYSA-N
Molecular Weight 296.205 g/mol
SMILES OC(c1c(C(c2cc(C(F)(F)F)ccc2)=O)cnnc1)=O
SPLASH splash10-0006-9400000000-71f3f4620837b3f47d8a
Source of Spectrum H1-43-159-20
Synonyms 5-(3-Trifluoromethylbenzoyl)pyridazine-4-carboxylic acid 5-[3-(trifluoromethyl)benzoyl]-4-pyridazinecarboxylic acid
Wiley ID 757646