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

*Links on SpectraBase are not permalinks.
2-Chlorobenzoic acid, 2-chloroethyl ester
SpectraBase Compound ID DOmnFKbLfTn
InChI InChI=1S/C9H8Cl2O2/c10-5-6-13-9(12)7-3-1-2-4-8(7)11/h1-4H,5-6H2
InChIKey OPAWQQDDCKSJAC-UHFFFAOYSA-N
Mol Weight 219.07 g/mol
Molecular Formula C9H8Cl2O2
Exact Mass 217.990135 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 HTbySHs2F49
Name 2-Chlorobenzoic acid, 2-chloroethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 217.990134896 u
Formula C9H8Cl2O2
InChI InChI=1S/C9H8Cl2O2/c10-5-6-13-9(12)7-3-1-2-4-8(7)11/h1-4H,5-6H2
InChIKey OPAWQQDDCKSJAC-UHFFFAOYSA-N
Molecular Weight 219.067 g/mol
SMILES C(C1=C(C=CC=C1)Cl)(OCCCl)=O