For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3FsLocj4Sm
Name 3-[5-[(E)-2-[2-keto-6-(trifluoromethyl)-1H-pyrimidin-4-yl]vinyl]-2-furyl]benzoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 splash10-0kdl-7953000000-8bf892dd338f7faea200
Synonyms 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
Wiley ID 1453638