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Ethyl 2-(6-(2-chloro-4-(trifluoromethyl)phenoxy)-1,2-dihydro-1-propynyl-2,4-dioxoquinazolin-3-(4H)-yl) acetate
SpectraBase Compound ID HH8F0Eh1oQe
InChI InChI=1S/C22H16ClF3N2O5/c1-3-9-27-17-7-6-14(33-18-8-5-13(10-16(18)23)22(24,25)26)11-15(17)20(30)28(21(27)31)12-19(29)32-4-2/h1,5-8,10-11H,4,9,12H2,2H3
InChIKey LHPZRYKUODYLPJ-UHFFFAOYSA-N
Mol Weight 480.83 g/mol
Molecular Formula C22H16ClF3N2O5
Exact Mass 480.069984 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K1gBojQgyCg
Name Ethyl 2-(6-(2-chloro-4-(trifluoromethyl)phenoxy)-1,2-dihydro-1-propynyl-2,4-dioxoquinazolin-3-(4H)-yl) acetate
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16ClF3N2O5
InChI InChI=1S/C22H16ClF3N2O5/c1-3-9-27-17-7-6-14(33-18-8-5-13(10-16(18)23)22(24,25)26)11-15(17)20(30)28(21(27)31)12-19(29)32-4-2/h1,5-8,10-11H,4,9,12H2,2H3
InChIKey LHPZRYKUODYLPJ-UHFFFAOYSA-N
Instrument Name Agilest 6890- 5973
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0009.211
Molecular Weight 480.827 g/mol
SMILES c1(cc(c(cc1)Oc1ccc2c(c1)C(N(C(N2CC#C)=O)CC(OCC)=O)=O)Cl)C(F)(F)F
SPLASH splash10-0pc0-0205900000-72569cca85cd6a08d829
Source of Spectrum ARK-2008-101-3f
Wiley ID 1869403