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

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cis-Cyclohex-4-en-1,2-dicarboxylic acid, isohexyl octadecyl ester
SpectraBase Compound ID qJ1scqShAf
InChI InChI=1S/C32H58O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26-35-31(33)29-24-19-20-25-30(29)32(34)36-27-22-23-28(2)3/h19-20,28-30H,4-18,21-27H2,1-3H3
InChIKey NNNUUHJTWVWLCP-UHFFFAOYSA-N
Mol Weight 506.8 g/mol
Molecular Formula C32H58O4
Exact Mass 506.43351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3WtDw0zqnjh
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, isohexyl octadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 506.433510344 u
Formula C32H58O4
InChI InChI=1S/C32H58O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26-35-31(33)29-24-19-20-25-30(29)32(34)36-27-22-23-28(2)3/h19-20,28-30H,4-18,21-27H2,1-3H3
InChIKey NNNUUHJTWVWLCP-UHFFFAOYSA-N
Molecular Weight 506.812 g/mol
SMILES C=1CC(C(CC1)C(OCCCCCCCCCCCCCCCCCC)=O)C(=O)OCCCC(C)C