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4-Cyclohexene-1,2-dicarboxylic acid, diisodecyl ester

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

4-Cyclohexene-1,2-dicarboxylic acid, diisodecyl ester
SpectraBase Compound ID L2kEKC6NTt0
InChI InChI=1S/C28H50O4/c1-23(2)17-11-7-5-9-15-21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-16-10-6-8-12-18-24(3)4/h13-14,23-26H,5-12,15-22H2,1-4H3
InChIKey XRFYGUOAWVKOCQ-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 JYYCEMikVMS
Name 4-Cyclohexene-1,2-dicarboxylic acid, diisodecyl 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/c1-23(2)17-11-7-5-9-15-21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-16-10-6-8-12-18-24(3)4/h13-14,23-26H,5-12,15-22H2,1-4H3
InChIKey XRFYGUOAWVKOCQ-UHFFFAOYSA-N
Molecular Weight 450.704 g/mol
SMILES CC(CCCCCCCOC(C1CC=CCC1C(OCCCCCCCC(C)C)=O)=O)C