3-(3,4-Dimethoxyphenyl)-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

SpectraBase Compound ID	Cdn9eYo1ibI
InChI	InChI=1S/C30H32N2O6/c1-34-24-11-10-17(14-25(24)35-2)18-12-22-28(23(33)13-18)29(32-21-9-7-6-8-20(21)31-22)19-15-26(36-3)30(38-5)27(16-19)37-4/h6-11,14-16,18,29,31-32H,12-13H2,1-5H3
InChIKey	VCUOOHRVHYFQBV-UHFFFAOYSA-N Google Search
Mol Weight	516.6 g/mol
Molecular Formula	C30H32N2O6
Exact Mass	516.226037 g/mol

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SpectraBase Spectrum ID	7vKRed3t8Lq
Name	3-(3,4-Dimethoxyphenyl)-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[B,E][1,4]diazepin-1-one
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	516.226036752 u
Formula	C30H32N2O6
InChI	InChI=1S/C30H32N2O6/c1-34-24-11-10-17(14-25(24)35-2)18-12-22-28(23(33)13-18)29(32-21-9-7-6-8-20(21)31-22)19-15-26(36-3)30(38-5)27(16-19)37-4/h6-11,14-16,18,29,31-32H,12-13H2,1-5H3
InChIKey	VCUOOHRVHYFQBV-UHFFFAOYSA-N
Molecular Weight	516.594 g/mol
SMILES	C1=2C=CC=CC2NC(C=2C(CC(CC2N1)C1=CC(=C(C=C1)OC)OC)=O)C1=CC(=C(C(=C1)OC)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR)	0.899923