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4-[1,1'-Biphenyl]-4-yl-2-methyl-3-butyn-2-ol

View entire compound with spectra: 1 NMR, and 1 FTIR

4-[1,1'-Biphenyl]-4-yl-2-methyl-3-butyn-2-ol
SpectraBase Compound ID KXcCpoUXeG0
InChI InChI=1S/C17H16O/c1-17(2,18)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,18H,1-2H3
InChIKey AGQJZAHQDBUXDB-UHFFFAOYSA-N
Mol Weight 236.31 g/mol
Molecular Formula C17H16O
Exact Mass 236.120115 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AKh5HR8R9of
Name 4-[1,1'-Biphenyl]-4-yl-2-methyl-3-butyn-2-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.120115134 u
Formula C17H16O
InChI InChI=1S/C17H16O/c1-17(2,18)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,18H,1-2H3
InChIKey AGQJZAHQDBUXDB-UHFFFAOYSA-N
Molecular Weight 236.314 g/mol
SMILES C(O)(C)(C)C#CC1=CC=C(C=C1)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.895894