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Succinic acid, heptyl trans-hex-3-enyl ester

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

Succinic acid, heptyl trans-hex-3-enyl ester
SpectraBase Compound ID L9OK2Sulg9t
InChI InChI=1S/C17H30O4/c1-3-5-7-9-11-15-21-17(19)13-12-16(18)20-14-10-8-6-4-2/h6,8H,3-5,7,9-15H2,1-2H3/b8-6+
InChIKey KGMJEPCLZGYOTE-SOFGYWHQSA-N
Mol Weight 298.42 g/mol
Molecular Formula C17H30O4
Exact Mass 298.214409 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GIXCKuZkEDm
Name Succinic acid, heptyl trans-hex-3-enyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.214409442 u
Formula C17H30O4
InChI InChI=1S/C17H30O4/c1-3-5-7-9-11-15-21-17(19)13-12-16(18)20-14-10-8-6-4-2/h6,8H,3-5,7,9-15H2,1-2H3/b8-6+
InChIKey KGMJEPCLZGYOTE-SOFGYWHQSA-N
SMILES C(OCC\C=C\CC)(CCC(OCCCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.826312