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

*Links on SpectraBase are not permalinks.

Succinic acid, 3-methylbut-2-yl 2,2,2-trichloroethyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Succinic acid, 3-methylbut-2-yl 2,2,2-trichloroethyl ester
SpectraBase Compound ID GbWGg8vQL0s
InChI InChI=1S/C11H17Cl3O4/c1-7(2)8(3)18-10(16)5-4-9(15)17-6-11(12,13)14/h7-8H,4-6H2,1-3H3
InChIKey OGZAHCZVLHTAMY-UHFFFAOYSA-N
Mol Weight 319.61 g/mol
Molecular Formula C11H17Cl3O4
Exact Mass 318.019242 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1A1I2TzrYD0
Name Succinic acid, 3-methylbut-2-yl 2,2,2-trichloroethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.019242123 u
Formula C11H17Cl3O4
InChI InChI=1S/C11H17Cl3O4/c1-7(2)8(3)18-10(16)5-4-9(15)17-6-11(12,13)14/h7-8H,4-6H2,1-3H3
InChIKey OGZAHCZVLHTAMY-UHFFFAOYSA-N
Molecular Weight 319.612 g/mol
SMILES C(CC(OC(C(C)C)C)=O)C(OCC(Cl)(Cl)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.901518