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

*Links on SpectraBase are not permalinks.

4-Methylbenzyl 2-[(4-methylphenyl)ethynyl]benzoate

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

4-Methylbenzyl 2-[(4-methylphenyl)ethynyl]benzoate
SpectraBase Compound ID Lgch9PUUZM1
InChI InChI=1S/C24H20O2/c1-18-7-11-20(12-8-18)15-16-22-5-3-4-6-23(22)24(25)26-17-21-13-9-19(2)10-14-21/h3-14H,17H2,1-2H3
InChIKey PJMDEHKKAILANH-UHFFFAOYSA-N
Mol Weight 340.42 g/mol
Molecular Formula C24H20O2
Exact Mass 340.14633 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 3HIb3bO1Uvi
Name 4-Methylbenzyl 2-[(4-methylphenyl)ethynyl]benzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.146329882 u
Formula C24H20O2
InChI InChI=1S/C24H20O2/c1-18-7-11-20(12-8-18)15-16-22-5-3-4-6-23(22)24(25)26-17-21-13-9-19(2)10-14-21/h3-14H,17H2,1-2H3
InChIKey PJMDEHKKAILANH-UHFFFAOYSA-N
Molecular Weight 340.422 g/mol
SMILES C1=CC=C(C(C(OCC2=CC=C(C=C2)C)=O)=C1)C#CC1=CC=C(C=C1)C