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Sebacic acid, 2-chlorophenyl ethyl ester

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

Sebacic acid, 2-chlorophenyl ethyl ester
SpectraBase Compound ID BPv02PzACkP
InChI InChI=1S/C18H25ClO4/c1-2-22-17(20)13-7-5-3-4-6-8-14-18(21)23-16-12-10-9-11-15(16)19/h9-12H,2-8,13-14H2,1H3
InChIKey HMBINRDBNHSSHJ-UHFFFAOYSA-N
Mol Weight 340.85 g/mol
Molecular Formula C18H25ClO4
Exact Mass 340.144137 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AHco1mHwnvI
Name Sebacic acid, 2-chlorophenyl ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.144136981 u
Formula C18H25ClO4
InChI InChI=1S/C18H25ClO4/c1-2-22-17(20)13-7-5-3-4-6-8-14-18(21)23-16-12-10-9-11-15(16)19/h9-12H,2-8,13-14H2,1H3
InChIKey HMBINRDBNHSSHJ-UHFFFAOYSA-N
Molecular Weight 340.847 g/mol
SMILES C(CCCCCCCC(OC1=CC=CC=C1Cl)=O)C(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.921035