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Succinic acid, hept-2-yl non-3-en-1-yl ester

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

Succinic acid, hept-2-yl non-3-en-1-yl ester
SpectraBase Compound ID 7YoSqd42uby
InChI InChI=1S/C20H36O4/c1-4-6-8-9-10-11-13-17-23-19(21)15-16-20(22)24-18(3)14-12-7-5-2/h10-11,18H,4-9,12-17H2,1-3H3/b11-10+
InChIKey SBPYYOYUWRTIMT-ZHACJKMWSA-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 9gDJZPcp0ux
Name Succinic acid, hept-2-yl non-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 340.261359635 u
Formula C20H36O4
InChI InChI=1S/C20H36O4/c1-4-6-8-9-10-11-13-17-23-19(21)15-16-20(22)24-18(3)14-12-7-5-2/h10-11,18H,4-9,12-17H2,1-3H3/b11-10+
InChIKey SBPYYOYUWRTIMT-ZHACJKMWSA-N
Molecular Weight 340.504 g/mol
SMILES C(CC(OC(C)CCCCC)=O)C(OCC\C=C\CCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.992277