1-[4-Tert-butyl-1-(4-tert-butyl-1-cyclohexenyl)cyclohexyl]-4-phenyl-1,2,4-triazolidine-3,5-dione

SpectraBase Compound ID	HKwGHUHqQDy
InChI	InChI=1S/C28H41N3O2/c1-26(2,3)20-12-14-22(15-13-20)28(18-16-21(17-19-28)27(4,5)6)31-25(33)30(24(32)29-31)23-10-8-7-9-11-23/h7-11,14,20-21H,12-13,15-19H2,1-6H3,(H,29,32)
InChIKey	ZAJYZCADQGQLID-UHFFFAOYSA-N Google Search
Mol Weight	451.7 g/mol
Molecular Formula	C28H41N3O2
Exact Mass	451.319878 g/mol

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SpectraBase Spectrum ID	FKGkh59T36J
Name	1-[4-Tert-butyl-1-(4-tert-butyl-1-cyclohexenyl)cyclohexyl]-4-phenyl-1,2,4-triazolidine-3,5-dione
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	451.319877570 u
Formula	C28H41N3O2
InChI	InChI=1S/C28H41N3O2/c1-26(2,3)20-12-14-22(15-13-20)28(18-16-21(17-19-28)27(4,5)6)31-25(33)30(24(32)29-31)23-10-8-7-9-11-23/h7-11,14,20-21H,12-13,15-19H2,1-6H3,(H,29,32)
InChIKey	ZAJYZCADQGQLID-UHFFFAOYSA-N
Molecular Weight	451.655 g/mol
SMILES	C1(N(NC(N1C1=CC=CC=C1)=O)C1(C2=CCC(C(C)(C)C)CC2)CCC(C(C)(C)C)CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.909418