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

*Links on SpectraBase are not permalinks.

Succinic acid, 4-chlorobenzyl tridec-2-yn-1-yl ester

View entire compound with spectra: 1 NMR

Succinic acid, 4-chlorobenzyl tridec-2-yn-1-yl ester
SpectraBase Compound ID 3XllQimqWZm
InChI InChI=1S/C24H33ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-19-28-23(26)17-18-24(27)29-20-21-13-15-22(25)16-14-21/h13-16H,2-10,17-20H2,1H3
InChIKey MRBOGLKHPVLMEX-UHFFFAOYSA-N
Mol Weight 421.0 g/mol
Molecular Formula C24H33ClO4
Exact Mass 420.206737 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 2YSOj80p1z6
Name Succinic acid, 4-chlorobenzyl tridec-2-yn-1-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.206737239 u
Formula C24H33ClO4
InChI InChI=1S/C24H33ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-19-28-23(26)17-18-24(27)29-20-21-13-15-22(25)16-14-21/h13-16H,2-10,17-20H2,1H3
InChIKey MRBOGLKHPVLMEX-UHFFFAOYSA-N
Molecular Weight 420.977 g/mol
SMILES C(CC(OCC#CCCCCCCCCCC)=O)C(OCC1=CC=C(C=C1)Cl)=O