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

*Links on SpectraBase are not permalinks.

Succinic acid, 2-ethylhexyl pentachlorophenyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 2-ethylhexyl pentachlorophenyl ester
SpectraBase Compound ID Jye3jqOZFT3
InChI InChI=1S/C18H21Cl5O4/c1-3-5-6-10(4-2)9-26-11(24)7-8-12(25)27-18-16(22)14(20)13(19)15(21)17(18)23/h10H,3-9H2,1-2H3
InChIKey OVNZPJVQRKXMTR-UHFFFAOYSA-N
Mol Weight 478.6 g/mol
Molecular Formula C18H21Cl5O4
Exact Mass 475.988248 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 9d0NmTeyUAG
Name Succinic acid, 2-ethylhexyl pentachlorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 475.988247652 u
Formula C18H21Cl5O4
InChI InChI=1S/C18H21Cl5O4/c1-3-5-6-10(4-2)9-26-11(24)7-8-12(25)27-18-16(22)14(20)13(19)15(21)17(18)23/h10H,3-9H2,1-2H3
InChIKey OVNZPJVQRKXMTR-UHFFFAOYSA-N
Molecular Weight 478.627 g/mol
SMILES C(CC(OCC(CC)CCCC)=O)C(OC=1C(=C(C(=C(C1Cl)Cl)Cl)Cl)Cl)=O