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3-[3,5-Di(tert-butyl)phenyl]prop-2-yn-1-ol

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

3-[3,5-Di(tert-butyl)phenyl]prop-2-yn-1-ol
SpectraBase Compound ID GSlVNkuKfpB
InChI InChI=1S/C17H24O/c1-16(2,3)14-10-13(8-7-9-18)11-15(12-14)17(4,5)6/h10-12,18H,9H2,1-6H3
InChIKey OBMKSNRPVMBELY-UHFFFAOYSA-N
Mol Weight 244.38 g/mol
Molecular Formula C17H24O
Exact Mass 244.182715 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ftxs8v2GV92
Name 3-[3,5-di(Tert-butyl)phenyl]prop-2-yn-1-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 244.182715392 u
Formula C17H24O
InChI InChI=1S/C17H24O/c1-16(2,3)14-10-13(8-7-9-18)11-15(12-14)17(4,5)6/h10-12,18H,9H2,1-6H3
InChIKey OBMKSNRPVMBELY-UHFFFAOYSA-N
Molecular Weight 244.378 g/mol
SMILES C(C#CC1=CC(C(C)(C)C)=CC(C(C)(C)C)=C1)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.901208