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cis-Cyclohex-4-en-1,2-dicarboxylic acid, dodecyl isohexyl ester

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

cis-Cyclohex-4-en-1,2-dicarboxylic acid, dodecyl isohexyl ester
SpectraBase Compound ID 1loAwoEyhK0
InChI InChI=1S/C26H46O4/c1-4-5-6-7-8-9-10-11-12-15-20-29-25(27)23-18-13-14-19-24(23)26(28)30-21-16-17-22(2)3/h13-14,22-24H,4-12,15-21H2,1-3H3
InChIKey IAYPLKHNCJZVSJ-UHFFFAOYSA-N
Mol Weight 422.7 g/mol
Molecular Formula C26H46O4
Exact Mass 422.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5D7eugtLsfg
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, dodecyl isohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.339609957 u
Formula C26H46O4
InChI InChI=1S/C26H46O4/c1-4-5-6-7-8-9-10-11-12-15-20-29-25(27)23-18-13-14-19-24(23)26(28)30-21-16-17-22(2)3/h13-14,22-24H,4-12,15-21H2,1-3H3
InChIKey IAYPLKHNCJZVSJ-UHFFFAOYSA-N
Molecular Weight 422.650 g/mol
SMILES C=1CC(C(CC1)C(OCCCC(C)C)=O)C(=O)OCCCCCCCCCCCC