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Succinic acid, 2,2-dichloroethyl neryl ester

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

Succinic acid, 2,2-dichloroethyl neryl ester
SpectraBase Compound ID 2mPWq683yXy
InChI InChI=1S/C16H24Cl2O4/c1-12(2)5-4-6-13(3)9-10-21-15(19)7-8-16(20)22-11-14(17)18/h5,9,14H,4,6-8,10-11H2,1-3H3/b13-9-
InChIKey OLLMSDFYNCTPLD-LCYFTJDESA-N
Mol Weight 351.27 g/mol
Molecular Formula C16H24Cl2O4
Exact Mass 350.105165 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IZdlZUySJr0
Name Succinic acid, 2,2-dichloroethyl neryl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.105164649 u
Formula C16H24Cl2O4
InChI InChI=1S/C16H24Cl2O4/c1-12(2)5-4-6-13(3)9-10-21-15(19)7-8-16(20)22-11-14(17)18/h5,9,14H,4,6-8,10-11H2,1-3H3/b13-9-
InChIKey OLLMSDFYNCTPLD-LCYFTJDESA-N
Molecular Weight 351.270 g/mol
SMILES C(CC(OCC(Cl)Cl)=O)C(OC\C=C/(CCC=C(C)C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.976281