For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

{3,4-Bis[(4-tert-butylphenyl)ethynyl]phenyl}phenylmethanone

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

{3,4-Bis[(4-tert-butylphenyl)ethynyl]phenyl}phenylmethanone
SpectraBase Compound ID LTKxMX4jBfk
InChI InChI=1S/C37H34O/c1-36(2,3)33-22-14-27(15-23-33)12-18-29-20-21-32(35(38)30-10-8-7-9-11-30)26-31(29)19-13-28-16-24-34(25-17-28)37(4,5)6/h7-11,14-17,20-26H,1-6H3
InChIKey VPMXYGJCTLWBRH-UHFFFAOYSA-N
Mol Weight 494.7 g/mol
Molecular Formula C37H34O
Exact Mass 494.260966 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LR9vYmhCx5d
Name {3,4-bis[(4-Tert-butylphenyl)ethynyl]phenyl}phenylmethanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 494.260965714 u
Formula C37H34O
InChI InChI=1S/C37H34O/c1-36(2,3)33-22-14-27(15-23-33)12-18-29-20-21-32(35(38)30-10-8-7-9-11-30)26-31(29)19-13-28-16-24-34(25-17-28)37(4,5)6/h7-11,14-17,20-26H,1-6H3
InChIKey VPMXYGJCTLWBRH-UHFFFAOYSA-N
Molecular Weight 494.678 g/mol
SMILES C(#CC1=CC=C(C(C)(C)C)C=C1)C=1C=C(C(=O)C2=CC=CC=C2)C=CC1C#CC1=CC=C(C(C)(C)C)C=C1