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

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

cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-ethylhexyl heptyl ester
SpectraBase Compound ID EWzwXLHriUZ
InChI InChI=1S/C23H40O4/c1-4-7-9-10-13-17-26-22(24)20-15-11-12-16-21(20)23(25)27-18-19(6-3)14-8-5-2/h11-12,19-21H,4-10,13-18H2,1-3H3
InChIKey KGDODGAESIERSU-UHFFFAOYSA-N
Mol Weight 380.6 g/mol
Molecular Formula C23H40O4
Exact Mass 380.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KzdLEQmir0J
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-ethylhexyl heptyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.292659764 u
Formula C23H40O4
InChI InChI=1S/C23H40O4/c1-4-7-9-10-13-17-26-22(24)20-15-11-12-16-21(20)23(25)27-18-19(6-3)14-8-5-2/h11-12,19-21H,4-10,13-18H2,1-3H3
InChIKey KGDODGAESIERSU-UHFFFAOYSA-N
Molecular Weight 380.569 g/mol
SMILES C=1CC(C(CC1)C(OCC(CCCC)CC)=O)C(=O)OCCCCCCC