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cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-methylbutyl pentyl ester

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

cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-methylbutyl pentyl ester
SpectraBase Compound ID ABs0L8jfgST
InChI InChI=1S/C18H30O4/c1-4-6-9-12-21-17(19)15-10-7-8-11-16(15)18(20)22-13-14(3)5-2/h7-8,14-16H,4-6,9-13H2,1-3H3
InChIKey WAYRRKZSEKLNOA-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 176lNdEVk9j
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-methylbutyl pentyl 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/c1-4-6-9-12-21-17(19)15-10-7-8-11-16(15)18(20)22-13-14(3)5-2/h7-8,14-16H,4-6,9-13H2,1-3H3
InChIKey WAYRRKZSEKLNOA-UHFFFAOYSA-N
SMILES C=1CC(C(CC1)C(OCC(CC)C)=O)C(=O)OCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.904786