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

*Links on SpectraBase are not permalinks.

2,2-Dimethyl-5-phenylpent-4-ynoic acid 1-(4-tolyl)ethyl ester

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

2,2-Dimethyl-5-phenylpent-4-ynoic acid 1-(4-tolyl)ethyl ester
SpectraBase Compound ID 9CAYxbU2UqY
InChI InChI=1S/C22H24O2/c1-17-12-14-20(15-13-17)18(2)24-21(23)22(3,4)16-8-11-19-9-6-5-7-10-19/h5-7,9-10,12-15,18H,16H2,1-4H3
InChIKey DDYBHSIMFZTLIJ-UHFFFAOYSA-N
Mol Weight 320.43 g/mol
Molecular Formula C22H24O2
Exact Mass 320.17763 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 FKmtI5wth0B
Name 2,2-Dimethyl-5-phenylpent-4-ynoic acid 1-(4-tolyl)ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.177630011 u
Formula C22H24O2
InChI InChI=1S/C22H24O2/c1-17-12-14-20(15-13-17)18(2)24-21(23)22(3,4)16-8-11-19-9-6-5-7-10-19/h5-7,9-10,12-15,18H,16H2,1-4H3
InChIKey DDYBHSIMFZTLIJ-UHFFFAOYSA-N
Molecular Weight 320.432 g/mol
SMILES C(C(OC(C1=CC=C(C=C1)C)C)=O)(C)(CC#CC1=CC=CC=C1)C