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2,2-Diphenyl-1-(4-methoxyphenyl)-3-methyl-1,2-hydroazeto[2,1-b]quinazolinium tetrafluoroborate
SpectraBase Compound ID 3LR9cmJT5vW
InChI InChI=1S/C30H27N2O.BF4/c1-31-27-16-10-9-11-23(27)21-32-28(22-17-19-26(33-2)20-18-22)30(29(31)32,24-12-5-3-6-13-24)25-14-7-4-8-15-25;2-1(3,4)5/h3-20,28H,21H2,1-2H3;/q+1;-1
InChIKey DHHBMJFVQDUCAT-UHFFFAOYSA-N
Mol Weight 518.36 g/mol
Molecular Formula C30H27BF4N2O
Exact Mass 518.215256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GgT1uYYqjoL
Name 2,2-Diphenyl-1-(4-methoxyphenyl)-3-methyl-1,2-hydroazeto[2,1-b]quinazolinium tetrafluoroborate
Alternate Name(s) 1-(4-methoxyphenyl)-3-methyl-2,2-diphenyl-2,8-dihydro-1H-azeto[2,1-b]quinazolin-3-ium tetrafluoroborate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H27BF4N2O
InChI InChI=1S/C30H27N2O.BF4/c1-31-27-16-10-9-11-23(27)21-32-28(22-17-19-26(33-2)20-18-22)30(29(31)32,24-12-5-3-6-13-24)25-14-7-4-8-15-25;2-1(3,4)5/h3-20,28H,21H2,1-2H3;/q+1;-1
InChIKey DHHBMJFVQDUCAT-UHFFFAOYSA-N
Molecular Weight 518.363 g/mol
SMILES [B-](F)(F)(F)F.C12=[N+](c3ccccc3CN2C(c2ccc(OC)cc2)C1(c1ccccc1)c1ccccc1)C
SPLASH splash10-0089-0005900000-58a1b6c1848b6efaff92
Source of Spectrum F-53-13470-46
Wiley ID 803904