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

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

cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-ethylbutyl tetradecyl ester
SpectraBase Compound ID 81Vjmy8fRpf
InChI InChI=1S/C28H50O4/c1-4-7-8-9-10-11-12-13-14-15-16-19-22-31-27(29)25-20-17-18-21-26(25)28(30)32-23-24(5-2)6-3/h17-18,24-26H,4-16,19-23H2,1-3H3
InChIKey ROZHNNXNTQKBOR-UHFFFAOYSA-N
Mol Weight 450.7 g/mol
Molecular Formula C28H50O4
Exact Mass 450.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8MWpm1iTV2j
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-ethylbutyl tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 450.370910086 u
Formula C28H50O4
InChI InChI=1S/C28H50O4/c1-4-7-8-9-10-11-12-13-14-15-16-19-22-31-27(29)25-20-17-18-21-26(25)28(30)32-23-24(5-2)6-3/h17-18,24-26H,4-16,19-23H2,1-3H3
InChIKey ROZHNNXNTQKBOR-UHFFFAOYSA-N
Molecular Weight 450.704 g/mol
SMILES C=1CC(C(CC1)C(OCC(CC)CC)=O)C(=O)OCCCCCCCCCCCCCC