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3-[5-[(E)-2-[2-keto-6-(trifluoromethyl)-1H-pyrimidin-4-yl]vinyl]-2-furyl]benzoic acid methyl ester
SpectraBase Compound ID 7RpgoSOHREK
InChI InChI=1S/C19H13F3N2O4/c1-27-17(25)12-4-2-3-11(9-12)15-8-7-14(28-15)6-5-13-10-16(19(20,21)22)24-18(26)23-13/h2-10H,1H3,(H,23,24,26)/b6-5+
InChIKey TVAAUCZVFOFUCD-AATRIKPKSA-N
Mol Weight 390.32 g/mol
Molecular Formula C19H13F3N2O4
Exact Mass 390.082741 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BtNEFtiC1nW
Name 3-[5-[(E)-2-[2-keto-6-(trifluoromethyl)-1H-pyrimidin-4-yl]vinyl]-2-furyl]benzoic acid methyl ester
Alternate Name(s) 3-[5-[(E)-2-[2-oxo-6-(trifluoromethyl)-1H-pyrimidin-4-yl]ethenyl]-2-furanyl]benzoic acid methyl ester Methyl 3-[5-[(E)-2-[2-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-yl]ethenyl]furan-2-yl]benzoate Methyl 3-[5-[(E)-2-[2-oxo-6-(trifluoromethyl)-1H-pyrimidin-4-yl]ethenyl]furan-2-yl]benzoate Methyl 3-[5-[(E)-2-[2-oxo-6-(trifluoromethyl)-1H-pyrimidin-4-yl]vinyl]-2-furyl]benzoate
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Formula C19H13F3N2O4
InChI InChI=1S/C19H13F3N2O4/c1-27-17(25)12-4-2-3-11(9-12)15-8-7-14(28-15)6-5-13-10-16(19(20,21)22)24-18(26)23-13/h2-10H,1H3,(H,23,24,26)/b6-5+
InChIKey TVAAUCZVFOFUCD-AATRIKPKSA-N
Molecular Weight 390.318 g/mol
SMILES N1C(=CC(=NC1=O)\C=C\c1oc(-c2cc(C(=O)OC)ccc2)cc1)C(F)(F)F
SPLASH splash10-0zi3-3953000000-3b7bd7c4445d86e0d888
Wiley ID 1453644