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2,2-Diphenyl-1-(4-nitrophenyl)-1,2-hydroazeto[2,1-b]quinazolinium tetrafluoroborate
SpectraBase Compound ID ESDDG36sdDn
InChI InChI=1S/C28H21N3O2.BF4/c32-31(33)24-17-15-20(16-18-24)26-28(22-10-3-1-4-11-22,23-12-5-2-6-13-23)27-29-25-14-8-7-9-21(25)19-30(26)27;2-1(3,4)5/h1-18,26H,19H2;/q;-1/p+1
InChIKey KPDHMNYOONTFND-UHFFFAOYSA-O
Mol Weight 519.31 g/mol
Molecular Formula C28H22BF4N3O2
Exact Mass 519.17412 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JI5iHPWsZMl
Name 2,2-Diphenyl-1-(4-nitrophenyl)-1,2-hydroazeto[2,1-b]quinazolinium tetrafluoroborate
Alternate Name(s) 1-(4-nitrophenyl)-2,2-diphenyl-2,8-dihydro-1H-azeto[2,1-b]quinazolin-3-ium tetrafluoroborate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H22BF4N3O2
InChI InChI=1S/C28H21N3O2.BF4/c32-31(33)24-17-15-20(16-18-24)26-28(22-10-3-1-4-11-22,23-12-5-2-6-13-23)27-29-25-14-8-7-9-21(25)19-30(26)27;2-1(3,4)5/h1-18,26H,19H2;/q;-1/p+1
InChIKey KPDHMNYOONTFND-UHFFFAOYSA-O
Molecular Weight 519.307 g/mol
SMILES [B-](F)(F)(F)F.[NH+]=1c2c(CN3C(C(C13)(c1ccccc1)c1ccccc1)c1ccc(N(=O)=O)cc1)cccc2
SPLASH splash10-03di-0209000000-a4efb30379b8e42b6179
Source of Spectrum F-53-13469-44
Wiley ID 803905