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

*Links on SpectraBase are not permalinks.

Glutaric acid, tridec-2-yn-1-yl 3-methylphenyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, tridec-2-yn-1-yl 3-methylphenyl ester
SpectraBase Compound ID 3bjO6vjaNlo
InChI InChI=1S/C25H36O4/c1-3-4-5-6-7-8-9-10-11-12-13-20-28-24(26)18-15-19-25(27)29-23-17-14-16-22(2)21-23/h14,16-17,21H,3-11,15,18-20H2,1-2H3
InChIKey MERFHCWIINXTEP-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 L6CGSBBk7qI
Name Glutaric acid, tridec-2-yn-1-yl 3-methylphenyl 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/c1-3-4-5-6-7-8-9-10-11-12-13-20-28-24(26)18-15-19-25(27)29-23-17-14-16-22(2)21-23/h14,16-17,21H,3-11,15,18-20H2,1-2H3
InChIKey MERFHCWIINXTEP-UHFFFAOYSA-N
Molecular Weight 400.559 g/mol
SMILES C(CCC(OCC#CCCCCCCCCCC)=O)C(OC=1C=CC=C(C)C1)=O