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Succinic acid, 2-ethylhexyl cis-pent-2-en-1-yl ester

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

Succinic acid, 2-ethylhexyl cis-pent-2-en-1-yl ester
SpectraBase Compound ID LCE4K6xb15c
InChI InChI=1S/C17H30O4/c1-4-7-9-13-20-16(18)11-12-17(19)21-14-15(6-3)10-8-5-2/h7,9,15H,4-6,8,10-14H2,1-3H3/b9-7-
InChIKey AFBVDSQATVSWBC-CLFYSBASSA-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 5NaEXbJW10S
Name Succinic acid, 2-ethylhexyl cis-pent-2-en-1-yl 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/c1-4-7-9-13-20-16(18)11-12-17(19)21-14-15(6-3)10-8-5-2/h7,9,15H,4-6,8,10-14H2,1-3H3/b9-7-
InChIKey AFBVDSQATVSWBC-CLFYSBASSA-N
SMILES C(CC(OCC(CC)CCCC)=O)C(OC\C=C/CC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.978794