4-(3-Bromo-4,5-diethoxy-phenyl)-3,4-dihydro-1H-benzo[H]quinolin-2-one

SpectraBase Compound ID	9kmht4ggl4a
InChI	InChI=1S/C23H22BrNO3/c1-3-27-20-12-15(11-19(24)23(20)28-4-2)18-13-21(26)25-22-16-8-6-5-7-14(16)9-10-17(18)22/h5-12,18H,3-4,13H2,1-2H3,(H,25,26)
InChIKey	BKOXOWZFDHMYJZ-UHFFFAOYSA-N Google Search
Mol Weight	440.34 g/mol
Molecular Formula	C23H22BrNO3
Exact Mass	439.078307 g/mol

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SpectraBase Spectrum ID	GQDWbZ9Jhqn
Name	4-(3-Bromo-4,5-diethoxy-phenyl)-3,4-dihydro-1H-benzo[H]quinolin-2-one
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	439.078306569 u
Formula	C23H22BrNO3
InChI	InChI=1S/C23H22BrNO3/c1-3-27-20-12-15(11-19(24)23(20)28-4-2)18-13-21(26)25-22-16-8-6-5-7-14(16)9-10-17(18)22/h5-12,18H,3-4,13H2,1-2H3,(H,25,26)
InChIKey	BKOXOWZFDHMYJZ-UHFFFAOYSA-N
Molecular Weight	440.337 g/mol
SMILES	C12=C(C(C3=CC(Br)=C(C(=C3)OCC)OCC)CC(N1)=O)C=CC=1C2=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.903231