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Succinic acid, 8-chlorooctyl 2-methylpentyl ester

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

Succinic acid, 8-chlorooctyl 2-methylpentyl ester
SpectraBase Compound ID 5r0YVbt9u8w
InChI InChI=1S/C18H33ClO4/c1-3-10-16(2)15-23-18(21)12-11-17(20)22-14-9-7-5-4-6-8-13-19/h16H,3-15H2,1-2H3
InChIKey FUIQQKUHAZSEHY-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 EFJVLbZmmDb
Name Succinic acid, 8-chlorooctyl 2-methylpentyl 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/c1-3-10-16(2)15-23-18(21)12-11-17(20)22-14-9-7-5-4-6-8-13-19/h16H,3-15H2,1-2H3
InChIKey FUIQQKUHAZSEHY-UHFFFAOYSA-N
Molecular Weight 348.911 g/mol
SMILES C(CC(OCCCCCCCCCl)=O)C(OCC(CCC)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.921776