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Adipic acid, di(6-chlorohexyl) ester

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

Adipic acid, di(6-chlorohexyl) ester
SpectraBase Compound ID 5fj9TDBuQOI
InChI InChI=1S/C18H32Cl2O4/c19-13-7-1-3-9-15-23-17(21)11-5-6-12-18(22)24-16-10-4-2-8-14-20/h1-16H2
InChIKey BBTWEIGRSAACRT-UHFFFAOYSA-N
Mol Weight 383.4 g/mol
Molecular Formula C18H32Cl2O4
Exact Mass 382.167765 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID L6YyYgmplpp
Name Adipic acid, di(6-chlorohexyl) ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.167764906 u
Formula C18H32Cl2O4
InChI InChI=1S/C18H32Cl2O4/c19-13-7-1-3-9-15-23-17(21)11-5-6-12-18(22)24-16-10-4-2-8-14-20/h1-16H2
InChIKey BBTWEIGRSAACRT-UHFFFAOYSA-N
Molecular Weight 383.356 g/mol
SMILES C(CCCCC(=O)OCCCCCCCl)(OCCCCCCCl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.949078