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Glutaric acid, 2,2-dichloroethyl non-5-yn-3-yl ester

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Glutaric acid, 2,2-dichloroethyl non-5-yn-3-yl ester
SpectraBase Compound ID L2J9pCsJg8V
InChI InChI=1S/C16H24Cl2O4/c1-3-5-6-7-9-13(4-2)22-16(20)11-8-10-15(19)21-12-14(17)18/h13-14H,3-5,8-12H2,1-2H3
InChIKey BYVUKBFXOUCSNP-UHFFFAOYSA-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 62Cg0gFo3Jz
Name Glutaric acid, 2,2-dichloroethyl non-5-yn-3-yl 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/c1-3-5-6-7-9-13(4-2)22-16(20)11-8-10-15(19)21-12-14(17)18/h13-14H,3-5,8-12H2,1-2H3
InChIKey BYVUKBFXOUCSNP-UHFFFAOYSA-N
Molecular Weight 351.270 g/mol
SMILES C(CCC(OCC(Cl)Cl)=O)C(OC(CC)CC#CCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.911432