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1,4-BIS-(3-HYDROXY-3-METHYLBUT-1-YNYL)-BENZENE
SpectraBase Compound ID IlIl4gg1a5Y
InChI InChI=1S/C16H18O2/c1-15(2,17)11-9-13-5-7-14(8-6-13)10-12-16(3,4)18/h5-8,17-18H,1-4H3
InChIKey FBRHVRDBMZNCTN-UHFFFAOYSA-N
Mol Weight 242.32 g/mol
Molecular Formula C16H18O2
Exact Mass 242.13068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IJovCySJkht
Name 1,4-BIS-(3-HYDROXY-3-METHYLBUT-1-YNYL)-BENZENE
Compound Number 3GG
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H18O2
InChI InChI=1S/C16H18O2/c1-15(2,17)11-9-13-5-7-14(8-6-13)10-12-16(3,4)18/h5-8,17-18H,1-4H3
InChIKey FBRHVRDBMZNCTN-UHFFFAOYSA-N
Literature Reference Author J.CHENG,Y.SUN,F.WANG,M.GUO,J.H.XU,Y.PAN,Z.ZHANG
Literature Reference Citation J.ORG.CHEM.,69,5428(2004)
Literature Reference DOI 10.1021/jo049379o
Molecular Weight 242.318 g/mol
Solvent ACETONE-D6
Source File Reference UWVN22134