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Succinic acid, 2,2-dichloroethyl trans-hex-3-en-1-yl ester

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

Succinic acid, 2,2-dichloroethyl trans-hex-3-en-1-yl ester
SpectraBase Compound ID CCQAi5L9F4l
InChI InChI=1S/C12H18Cl2O4/c1-2-3-4-5-8-17-11(15)6-7-12(16)18-9-10(13)14/h3-4,10H,2,5-9H2,1H3/b4-3+
InChIKey HHTFMMFOZANOQM-ONEGZZNKSA-N
Mol Weight 297.18 g/mol
Molecular Formula C12H18Cl2O4
Exact Mass 296.058214 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7gu4G5mXuAb
Name Succinic acid, 2,2-dichloroethyl trans-hex-3-en-1-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.058214456 u
Formula C12H18Cl2O4
InChI InChI=1S/C12H18Cl2O4/c1-2-3-4-5-8-17-11(15)6-7-12(16)18-9-10(13)14/h3-4,10H,2,5-9H2,1H3/b4-3+
InChIKey HHTFMMFOZANOQM-ONEGZZNKSA-N
Molecular Weight 297.178 g/mol
SMILES C(CC(OCC(Cl)Cl)=O)C(OCC\C=C\CC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.982359