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Succinic acid, dec-2-yl hex-5-en-1-yl ester

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

Succinic acid, dec-2-yl hex-5-en-1-yl ester
SpectraBase Compound ID CH5wJu1diS9
InChI InChI=1S/C20H36O4/c1-4-6-8-10-11-12-14-18(3)24-20(22)16-15-19(21)23-17-13-9-7-5-2/h5,18H,2,4,6-17H2,1,3H3
InChIKey JPYDUNLLFDHQGO-UHFFFAOYSA-N
Mol Weight 340.5 g/mol
Molecular Formula C20H36O4
Exact Mass 340.26136 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IdGwn2Y3u3U
Name Succinic acid, dec-2-yl hex-5-en-1-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.261359635 u
Formula C20H36O4
InChI InChI=1S/C20H36O4/c1-4-6-8-10-11-12-14-18(3)24-20(22)16-15-19(21)23-17-13-9-7-5-2/h5,18H,2,4,6-17H2,1,3H3
InChIKey JPYDUNLLFDHQGO-UHFFFAOYSA-N
Molecular Weight 340.504 g/mol
SMILES C(CC(OC(CCCCCCCC)C)=O)C(OCCCCC=C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.819368