1-(Triphenylmethyl)-3-[tris(4-methoxyphenyl)methyl]urea

SpectraBase Compound ID	GtMSW7u19br
InChI	InChI=1S/C42H38N2O4/c1-46-37-25-19-34(20-26-37)42(35-21-27-38(47-2)28-22-35,36-23-29-39(48-3)30-24-36)44-40(45)43-41(31-13-7-4-8-14-31,32-15-9-5-10-16-32)33-17-11-6-12-18-33/h4-30H,1-3H3,(H2,43,44,45)
InChIKey	YZPIEVPSJBHZGN-UHFFFAOYSA-N Google Search
Mol Weight	634.8 g/mol
Molecular Formula	C42H38N2O4
Exact Mass	634.283158 g/mol

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SpectraBase Spectrum ID	89F8VF5IJp8
Name	1-(Triphenylmethyl)-3-[tris(4-methoxyphenyl)methyl]urea
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	634.283157708 u
Formula	C42H38N2O4
InChI	InChI=1S/C42H38N2O4/c1-46-37-25-19-34(20-26-37)42(35-21-27-38(47-2)28-22-35,36-23-29-39(48-3)30-24-36)44-40(45)43-41(31-13-7-4-8-14-31,32-15-9-5-10-16-32)33-17-11-6-12-18-33/h4-30H,1-3H3,(H2,43,44,45)
InChIKey	YZPIEVPSJBHZGN-UHFFFAOYSA-N
Molecular Weight	634.776 g/mol
SMILES	C(NC(NC(C=1C=CC=CC1)(C=1C=CC=CC1)C=1C=CC=CC1)=O)(C=1C=CC(=CC1)OC)(C=1C=CC(=CC1)OC)C=1C=CC(=CC1)OC
Spectrum/Structure Validation Score (Vapor Phase IR)	0.899523