5-(p'-Chlorophenyl)-5-phenyl-4-(di<p'-tolyl>acyl)-2-[bis(p-tolyl]-methyl-1,3,4-oxadiazoline - Optional[Vapor Phase IR] - Spectrum

SpectraBase Compound ID	AOzObt10c6v
InChI	InChI=1S/C45H39ClN2O2/c1-30-10-18-34(19-11-30)41(35-20-12-31(2)13-21-35)43-47-48(45(50-43,38-8-6-5-7-9-38)39-26-28-40(46)29-27-39)44(49)42(36-22-14-32(3)15-23-36)37-24-16-33(4)17-25-37/h5-29,41-42H,1-4H3
InChIKey	LGFKERBTLJQPQQ-UHFFFAOYSA-N Google Search
Mol Weight	675.3 g/mol
Molecular Formula	C45H39ClN2O2
Exact Mass	674.270006 g/mol

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SpectraBase Spectrum ID	LoaYE12DBHq
Name	5-(p'-Chlorophenyl)-5-phenyl-4-(diacyl)-2-[bis(p-tolyl]-methyl-1,3,4-oxadiazoline
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	674.270006202 u
Formula	C45H39ClN2O2
InChI	InChI=1S/C45H39ClN2O2/c1-30-10-18-34(19-11-30)41(35-20-12-31(2)13-21-35)43-47-48(45(50-43,38-8-6-5-7-9-38)39-26-28-40(46)29-27-39)44(49)42(36-22-14-32(3)15-23-36)37-24-16-33(4)17-25-37/h5-29,41-42H,1-4H3
InChIKey	LGFKERBTLJQPQQ-UHFFFAOYSA-N
SMILES	C1(N(N=C(O1)C(C1=CC=C(C=C1)C)C1=CC=C(C=C1)C)C(C(C1=CC=C(C=C1)C)C=1C=CC(=CC1)C)=O)(C1=CC=C(C=C1)Cl)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.884877