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Succinic acid, 8-chloroctyl hexyl ester

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

Succinic acid, 8-chloroctyl hexyl ester
SpectraBase Compound ID Dew3RRhoZtt
InChI InChI=1S/C18H33ClO4/c1-2-3-4-10-15-22-17(20)12-13-18(21)23-16-11-8-6-5-7-9-14-19/h2-16H2,1H3
InChIKey OSANRUGTBBHCED-UHFFFAOYSA-N
Mol Weight 348.9 g/mol
Molecular Formula C18H33ClO4
Exact Mass 348.206737 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GPYZAQdzpbr
Name Succinic acid, 8-chloroctyl hexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.206737239 u
Formula C18H33ClO4
InChI InChI=1S/C18H33ClO4/c1-2-3-4-10-15-22-17(20)12-13-18(21)23-16-11-8-6-5-7-9-14-19/h2-16H2,1H3
InChIKey OSANRUGTBBHCED-UHFFFAOYSA-N
Molecular Weight 348.911 g/mol
SMILES C(C(OCCCCCCCCCl)=O)CC(OCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953852