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 Google Search
Mol Weight	390.32 g/mol
Molecular Formula	C19H13F3N2O4
Exact Mass	390.082741 g/mol

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SpectraBase Spectrum ID	FaHPNMd2fel
Name	benzoic acid, 3-[5-[(E)-2-[1,2-dihydro-2-oxo-6-(trifluoromethyl)-4-pyrimidinyl]ethenyl]-2-furanyl]-, methyl ester
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	390.082741392 u
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
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_8408
Solvent	DMSO-d6
Source	Vendor ID: NMR/9322328; Lab Info: SAD; Lab Number: SAD-1001187