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4-Methoxy-6-[2-(3-trifluoroacetamidopropanoyl)anilino]-5,8-quinoline
SpectraBase Compound ID Kl6GluR366y
InChI InChI=1S/C21H16F3N3O5/c1-32-16-7-9-25-18-15(29)10-13(19(30)17(16)18)27-12-5-3-2-4-11(12)14(28)6-8-26-20(31)21(22,23)24/h2-5,7,9-10,27H,6,8H2,1H3,(H,26,31)
InChIKey ZATNETRCWHEKIJ-UHFFFAOYSA-N
Mol Weight 447.37 g/mol
Molecular Formula C21H16F3N3O5
Exact Mass 447.104205 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FisOJYdZXQd
Name 4-Methoxy-6-[2-(3-trifluoroacetamidopropanoyl)anilino]-5,8-quinoline
Comments Less than 3 mono-isotopic peaks
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Formula C21H16F3N3O5
InChI InChI=1S/C21H16F3N3O5/c1-32-16-7-9-25-18-15(29)10-13(19(30)17(16)18)27-12-5-3-2-4-11(12)14(28)6-8-26-20(31)21(22,23)24/h2-5,7,9-10,27H,6,8H2,1H3,(H,26,31)
InChIKey ZATNETRCWHEKIJ-UHFFFAOYSA-N
Molecular Weight 447.370 g/mol
SMILES N(C=1C(c2c(ccnc2C(C1)=O)OC)=O)c1c(C(CCNC(C(F)(F)F)=O)=O)cccc1
SPLASH splash10-0002-0002900000-84d2602295a6d6df35f1
Source of Spectrum SO-0-240-6
Wiley ID 1544737