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Succinic acid, 10-chlorodecyl heptyl ester

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

Succinic acid, 10-chlorodecyl heptyl ester
SpectraBase Compound ID EnPPrTuDMtj
InChI InChI=1S/C21H39ClO4/c1-2-3-4-10-13-18-25-20(23)15-16-21(24)26-19-14-11-8-6-5-7-9-12-17-22/h2-19H2,1H3
InChIKey LWABOUYGQGFCAR-UHFFFAOYSA-N
Mol Weight 391.0 g/mol
Molecular Formula C21H39ClO4
Exact Mass 390.253687 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DoK0cfYmuLI
Name Succinic acid, 10-chlorodecyl heptyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.253687432 u
Formula C21H39ClO4
InChI InChI=1S/C21H39ClO4/c1-2-3-4-10-13-18-25-20(23)15-16-21(24)26-19-14-11-8-6-5-7-9-12-17-22/h2-19H2,1H3
InChIKey LWABOUYGQGFCAR-UHFFFAOYSA-N
Molecular Weight 390.992 g/mol
SMILES C(CC(OCCCCCCCCCCCl)=O)C(OCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931243