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3,3,6,6-Tetramethyl-2,7-diphenyl-4-octyn-2,7-diol

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

3,3,6,6-Tetramethyl-2,7-diphenyl-4-octyn-2,7-diol
SpectraBase Compound ID 71NS3ApWWsD
InChI InChI=1S/C24H30O2/c1-21(2,23(5,25)19-13-9-7-10-14-19)17-18-22(3,4)24(6,26)20-15-11-8-12-16-20/h7-16,25-26H,1-6H3
InChIKey IXNDAXPACJNORZ-UHFFFAOYSA-N
Mol Weight 350.5 g/mol
Molecular Formula C24H30O2
Exact Mass 350.22458 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID dG663Sx8tz
Name 3,3,6,6-Tetramethyl-2,7-diphenyl-4-octyn-2,7-diol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.224580204 u
Formula C24H30O2
InChI InChI=1S/C24H30O2/c1-21(2,23(5,25)19-13-9-7-10-14-19)17-18-22(3,4)24(6,26)20-15-11-8-12-16-20/h7-16,25-26H,1-6H3
InChIKey IXNDAXPACJNORZ-UHFFFAOYSA-N
Molecular Weight 350.502 g/mol
SMILES C(#CC(C(C1=CC=CC=C1)(O)C)(C)C)C(C(C=1C=CC=CC1)(O)C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.966534