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cis-Cyclohex-4-en-1,2-dicarboxylic acid, butyl 2-ethylbutyl ester

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

cis-Cyclohex-4-en-1,2-dicarboxylic acid, butyl 2-ethylbutyl ester
SpectraBase Compound ID H7NiBORIF9u
InChI InChI=1S/C18H30O4/c1-4-7-12-21-17(19)15-10-8-9-11-16(15)18(20)22-13-14(5-2)6-3/h8-9,14-16H,4-7,10-13H2,1-3H3
InChIKey PSAAZDDIHFLLQU-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 4Bs7DWsTXFa
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, butyl 2-ethylbutyl 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/c1-4-7-12-21-17(19)15-10-8-9-11-16(15)18(20)22-13-14(5-2)6-3/h8-9,14-16H,4-7,10-13H2,1-3H3
InChIKey PSAAZDDIHFLLQU-UHFFFAOYSA-N
SMILES C=1CC(C(CC1)C(OCC(CC)CC)=O)C(=O)OCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936828