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Glutaric acid, hex-2-en-1-yl 2,2-dichloroethyl ester

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

Glutaric acid, hex-2-en-1-yl 2,2-dichloroethyl ester
SpectraBase Compound ID 44WSrVJQTNw
InChI InChI=1S/C13H20Cl2O4/c1-2-3-4-5-9-18-12(16)7-6-8-13(17)19-10-11(14)15/h4-5,11H,2-3,6-10H2,1H3/b5-4+
InChIKey DMWYIVNXGOSOLI-SNAWJCMRSA-N
Mol Weight 311.21 g/mol
Molecular Formula C13H20Cl2O4
Exact Mass 310.073865 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5k8JfjFkshC
Name Glutaric acid, hex-2-en-1-yl 2,2-dichloroethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.073864520 u
Formula C13H20Cl2O4
InChI InChI=1S/C13H20Cl2O4/c1-2-3-4-5-9-18-12(16)7-6-8-13(17)19-10-11(14)15/h4-5,11H,2-3,6-10H2,1H3/b5-4+
InChIKey DMWYIVNXGOSOLI-SNAWJCMRSA-N
Molecular Weight 311.205 g/mol
SMILES C(CCC(OCC(Cl)Cl)=O)C(OC\C=C\CCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.893248