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cis-Cyclohex-4-en-1,2-dicarboxylic acid, ethyl 2-ethylhexyl ester

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

cis-Cyclohex-4-en-1,2-dicarboxylic acid, ethyl 2-ethylhexyl ester
SpectraBase Compound ID 6XyEkyT8RbJ
InChI InChI=1S/C18H30O4/c1-4-7-10-14(5-2)13-22-18(20)16-12-9-8-11-15(16)17(19)21-6-3/h8-9,14-16H,4-7,10-13H2,1-3H3
InChIKey TXRFBLAVPJLGFA-UHFFFAOYSA-N
Mol Weight 310.43 g/mol
Molecular Formula C18H30O4
Exact Mass 310.214409 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 26t0LHB3hOY
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, ethyl 2-ethylhexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.214409442 u
Formula C18H30O4
InChI InChI=1S/C18H30O4/c1-4-7-10-14(5-2)13-22-18(20)16-12-9-8-11-15(16)17(19)21-6-3/h8-9,14-16H,4-7,10-13H2,1-3H3
InChIKey TXRFBLAVPJLGFA-UHFFFAOYSA-N
SMILES C=1CC(C(CC1)C(OCC(CCCC)CC)=O)C(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954514