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

*Links on SpectraBase are not permalinks.

Succinic acid, tridec-2-yn-1-yl 3-ethylphenyl ester

View entire compound with spectra: 1 NMR

Succinic acid, tridec-2-yn-1-yl 3-ethylphenyl ester
SpectraBase Compound ID 6JJpW4WVbht
InChI InChI=1S/C25H36O4/c1-3-5-6-7-8-9-10-11-12-13-14-20-28-24(26)18-19-25(27)29-23-17-15-16-22(4-2)21-23/h15-17,21H,3-12,18-20H2,1-2H3
InChIKey GNCUEHJCCRGNIR-UHFFFAOYSA-N
Mol Weight 400.6 g/mol
Molecular Formula C25H36O4
Exact Mass 400.26136 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 BB1IfSb1VgH
Name Succinic acid, tridec-2-yn-1-yl 3-ethylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.261359635 u
Formula C25H36O4
InChI InChI=1S/C25H36O4/c1-3-5-6-7-8-9-10-11-12-13-14-20-28-24(26)18-19-25(27)29-23-17-15-16-22(4-2)21-23/h15-17,21H,3-12,18-20H2,1-2H3
InChIKey GNCUEHJCCRGNIR-UHFFFAOYSA-N
Molecular Weight 400.559 g/mol
SMILES C(CC(OCC#CCCCCCCCCCC)=O)C(OC1=CC(=CC=C1)CC)=O