12-Methyl-14,16-diphenyl[2]metacyclo-(3,5)pyranophan-12-ol

SpectraBase Compound ID	8t8J79HsXKp
InChI	InChI=1S/C30H30O2/c1-30(31)26-19-9-13-22-11-8-12-23(21-22)14-10-20-27(30)29(25-17-6-3-7-18-25)32-28(26)24-15-4-2-5-16-24/h2-8,11-12,15-18,21,31H,9-10,13-14,19-20H2,1H3
InChIKey	BWNMJPDZGDPDQF-UHFFFAOYSA-N Google Search
Mol Weight	422.57 g/mol
Molecular Formula	C30H30O2
Exact Mass	422.22458 g/mol

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SpectraBase Spectrum ID	L2t9iCiDEEi
Name	12-Methyl-14,16-diphenyl[2]metacyclo-(3,5)pyranophan-12-ol
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	422.224580204 u
Formula	C30H30O2
InChI	InChI=1S/C30H30O2/c1-30(31)26-19-9-13-22-11-8-12-23(21-22)14-10-20-27(30)29(25-17-6-3-7-18-25)32-28(26)24-15-4-2-5-16-24/h2-8,11-12,15-18,21,31H,9-10,13-14,19-20H2,1H3
InChIKey	BWNMJPDZGDPDQF-UHFFFAOYSA-N
Molecular Weight	422.568 g/mol
SMILES	C=1C=CC(=CC1)C1=C2CCCC3=CC(CCCC(C2(C)O)=C(O1)C=1C=CC=CC1)=CC=C3
Spectrum/Structure Validation Score (Vapor Phase IR)	0.951501