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1-Benzyl-1,2,3,4,5,6-hexahydro-3,3-dimethyl-5,6-dioxo-benzo[h]quinazolinium - perchlorate
SpectraBase Compound ID 3b0AyrFzp33
InChI InChI=1S/C21H21N2O2.ClHO4/c1-23(2)13-18-19(22(14-23)12-15-8-4-3-5-9-15)16-10-6-7-11-17(16)20(24)21(18)25;2-1(3,4)5/h3-11H,12-14H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKey ZCYGIONLQDZGPH-UHFFFAOYSA-M
Mol Weight 432.86 g/mol
Molecular Formula C21H21ClN2O6
Exact Mass 432.108814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Im2gChOipPU
Name 1-Benzyl-1,2,3,4,5,6-hexahydro-3,3-dimethyl-5,6-dioxo-benzo[h]quinazolinium - perchlorate
Alternate Name(s) 1-Benzyl-3,3-dimethyl-5,6-dioxo-1,2,3,4,5,6-hexahydrobenzo[h]quinazolin-3-ium perchlorate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21ClN2O6
InChI InChI=1S/C21H21N2O2.ClHO4/c1-23(2)13-18-19(22(14-23)12-15-8-4-3-5-9-15)16-10-6-7-11-17(16)20(24)21(18)25;2-1(3,4)5/h3-11H,12-14H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKey ZCYGIONLQDZGPH-UHFFFAOYSA-M
Molecular Weight 432.860 g/mol
SMILES [Cl]([O-])(=O)(=O)=O.C12=C(N(C[N+](C2)(C)C)Cc2ccccc2)c2ccccc2C(C1=O)=O
SPLASH splash10-0a4i-9400000000-f33b1c07aa97681b1142
Source of Spectrum D8-324-95-16
Wiley ID 1513982