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Succinic acid, 8-chlorooctyl trans-hex-3-en-1-yl ester

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

Succinic acid, 8-chlorooctyl trans-hex-3-en-1-yl ester
SpectraBase Compound ID G2HXExc06UO
InChI InChI=1S/C18H31ClO4/c1-2-3-4-10-15-22-17(20)12-13-18(21)23-16-11-8-6-5-7-9-14-19/h3-4H,2,5-16H2,1H3/b4-3+
InChIKey GVZXVMFDMRRAML-ONEGZZNKSA-N
Mol Weight 346.9 g/mol
Molecular Formula C18H31ClO4
Exact Mass 346.191087 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID B5eF9X7Krit
Name Succinic acid, 8-chlorooctyl trans-hex-3-en-1-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.191087174 u
Formula C18H31ClO4
InChI InChI=1S/C18H31ClO4/c1-2-3-4-10-15-22-17(20)12-13-18(21)23-16-11-8-6-5-7-9-14-19/h3-4H,2,5-16H2,1H3/b4-3+
InChIKey GVZXVMFDMRRAML-ONEGZZNKSA-N
Molecular Weight 346.895 g/mol
SMILES C(CC(OCCCCCCCCCl)=O)C(OCC\C=C\CC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.873648