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methyl 2-[1-allyl-6-[2-chloro-4-(trifluoromethyl)phenoxy]-2,4-dioxo-quinazolin-3-yl]acetate
SpectraBase Compound ID HwOLWKkKZQ3
InChI InChI=1S/C21H16ClF3N2O5/c1-3-8-26-16-6-5-13(32-17-7-4-12(9-15(17)22)21(23,24)25)10-14(16)19(29)27(20(26)30)11-18(28)31-2/h3-7,9-10H,1,8,11H2,2H3
InChIKey JGDAQSMVGCEBSM-UHFFFAOYSA-N
Mol Weight 468.82 g/mol
Molecular Formula C21H16ClF3N2O5
Exact Mass 468.069984 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7fx09cH3CJo
Name methyl 2-[1-allyl-6-[2-chloro-4-(trifluoromethyl)phenoxy]-2,4-dioxo-quinazolin-3-yl]acetate
Appearance Yellow oil
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Formula C21H16ClF3N2O5
InChI InChI=1S/C21H16ClF3N2O5/c1-3-8-26-16-6-5-13(32-17-7-4-12(9-15(17)22)21(23,24)25)10-14(16)19(29)27(20(26)30)11-18(28)31-2/h3-7,9-10H,1,8,11H2,2H3
InChIKey JGDAQSMVGCEBSM-UHFFFAOYSA-N
Instrument Name Agilest 6890- 5973
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0009.211
Molecular Weight 468.816 g/mol
SMILES c1(cc(c(cc1)Oc1ccc2c(c1)C(N(C(N2CC=C)=O)CC(OC)=O)=O)Cl)C(F)(F)F
SPLASH splash10-0fr6-1019600000-c88c1af834b4d409782d
Source of Spectrum ARK-2008-101-3c
Wiley ID 1869400