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trans-2-[2-(4-Nitrophenyl)vinyl]-3-phenyl-6,7-difluoro-3H-quinazolin-4-one
SpectraBase Compound ID CwI39ddLpuX
InChI InChI=1S/C22H13F2N3O3/c23-18-12-17-20(13-19(18)24)25-21(26(22(17)28)15-4-2-1-3-5-15)11-8-14-6-9-16(10-7-14)27(29)30/h1-13H/b11-8+
InChIKey VNKQCTMXLMNDMR-DHZHZOJOSA-N
Mol Weight 405.36 g/mol
Molecular Formula C22H13F2N3O3
Exact Mass 405.092498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FsjCe4ToPLa
Name trans-2-[2-(4-Nitrophenyl)vinyl]-3-phenyl-6,7-difluoro-3H-quinazolin-4-one
Comments Less than 3 mono-isotopic peaks
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Formula C22H13F2N3O3
InChI InChI=1S/C22H13F2N3O3/c23-18-12-17-20(13-19(18)24)25-21(26(22(17)28)15-4-2-1-3-5-15)11-8-14-6-9-16(10-7-14)27(29)30/h1-13H/b11-8+
InChIKey VNKQCTMXLMNDMR-DHZHZOJOSA-N
Molecular Weight 405.361 g/mol
SMILES C1(N(C(\C=C\c2ccc(N(=O)=O)cc2)=Nc2c1cc(c(F)c2)F)c1ccccc1)=O
SPLASH splash10-0a4i-0000900000-f184a78c5168df9d24a4
Source of Spectrum O1-47-758-3a
Wiley ID 1669557