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Succinic acid, 8-chloroctyl pentyl ester

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

Succinic acid, 8-chloroctyl pentyl ester
SpectraBase Compound ID 1ThiwmSWjHh
InChI InChI=1S/C17H31ClO4/c1-2-3-9-14-21-16(19)11-12-17(20)22-15-10-7-5-4-6-8-13-18/h2-15H2,1H3
InChIKey ARIFJQNMMCFGDA-UHFFFAOYSA-N
Mol Weight 334.88 g/mol
Molecular Formula C17H31ClO4
Exact Mass 334.191087 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 13Mqb89iXEn
Name Succinic acid, 8-chloroctyl pentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.191087174 u
Formula C17H31ClO4
InChI InChI=1S/C17H31ClO4/c1-2-3-9-14-21-16(19)11-12-17(20)22-15-10-7-5-4-6-8-13-18/h2-15H2,1H3
InChIKey ARIFJQNMMCFGDA-UHFFFAOYSA-N
Molecular Weight 334.884 g/mol
SMILES C(C(OCCCCCCCCCl)=O)CC(OCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.949516