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3-(4-bromophenyl)-1-(4-chlorophenyl)-7,7-dimethyl-5-oxo-1,2,3,4,5,6,7,8-octahydroquinazoline
SpectraBase Compound ID DWCnLqxKoEj
InChI InChI=1S/C22H22BrClN2O/c1-22(2)11-20-19(21(27)12-22)13-25(17-7-3-15(23)4-8-17)14-26(20)18-9-5-16(24)6-10-18/h3-10H,11-14H2,1-2H3
InChIKey VCTDAWBXQUWICF-UHFFFAOYSA-N
Mol Weight 445.79 g/mol
Molecular Formula C22H22BrClN2O
Exact Mass 444.060404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IECVbniP7O8
Name 3-(4-bromophenyl)-1-(4-chlorophenyl)-7,7-dimethyl-5-oxo-1,2,3,4,5,6,7,8-octahydroquinazoline
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22BrClN2O
InChI InChI=1S/C22H22BrClN2O/c1-22(2)11-20-19(21(27)12-22)13-25(17-7-3-15(23)4-8-17)14-26(20)18-9-5-16(24)6-10-18/h3-10H,11-14H2,1-2H3
InChIKey VCTDAWBXQUWICF-UHFFFAOYSA-N
Molecular Weight 445.788 g/mol
SMILES C12=C(N(c3ccc(cc3)Cl)CN(C1)c1ccc(cc1)Br)CC(CC2=O)(C)C
SPLASH splash10-001r-5950500000-5ad4c1580645058787ca
Source of Spectrum F2-45-5394-2
Wiley ID 1703634