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5-p-Anisylbicyclo[2.1.1]hexan-1,5-diol

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

5-p-Anisylbicyclo[2.1.1]hexan-1,5-diol
SpectraBase Compound ID K5tbeCUMDbk
InChI InChI=1S/C13H16O3/c1-16-11-4-2-9(3-5-11)13(15)10-6-7-12(13,14)8-10/h2-5,10,14-15H,6-8H2,1H3
InChIKey HTRPBGUCFMGFCS-UHFFFAOYSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID A5Z9RNUmtk4
Name 5-p-Anisylbicyclo[2.1.1]hexan-1,5-diol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.109944372 u
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-16-11-4-2-9(3-5-11)13(15)10-6-7-12(13,14)8-10/h2-5,10,14-15H,6-8H2,1H3
InChIKey HTRPBGUCFMGFCS-UHFFFAOYSA-N
Molecular Weight 220.268 g/mol
SMILES C12(CCC(C2(O)C=2C=CC(=CC2)OC)C1)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.832188