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6'-(2-Phenylethynyl)-2-hydroxy-2'-pivaloyloxy-1,1'-binaphthyl

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

6'-(2-Phenylethynyl)-2-hydroxy-2'-pivaloyloxy-1,1'-binaphthyl
SpectraBase Compound ID GT1HBcxumP8
InChI InChI=1S/C33H26O3/c1-33(2,3)32(35)36-29-20-17-25-21-23(14-13-22-9-5-4-6-10-22)15-18-27(25)31(29)30-26-12-8-7-11-24(26)16-19-28(30)34/h4-12,15-21,34H,1-3H3
InChIKey RHKKWCZMBGAGGY-UHFFFAOYSA-N
Mol Weight 470.6 g/mol
Molecular Formula C33H26O3
Exact Mass 470.188195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5kJboRPxLU3
Name 6'-(2-Phenylethynyl)-2-hydroxy-2'-pivaloyloxy-1,1'-binaphthyl
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 470.188194694 u
Formula C33H26O3
InChI InChI=1S/C33H26O3/c1-33(2,3)32(35)36-29-20-17-25-21-23(14-13-22-9-5-4-6-10-22)15-18-27(25)31(29)30-26-12-8-7-11-24(26)16-19-28(30)34/h4-12,15-21,34H,1-3H3
InChIKey RHKKWCZMBGAGGY-UHFFFAOYSA-N
Molecular Weight 470.568 g/mol
SMILES C=1(C2=C3C(C=CC=C3)=CC=C2O)C(OC(C(C)(C)C)=O)=CC=C2C1C=CC(C#CC=1C=CC=CC1)=C2