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cis-Cyclohex-4-en-1,2-dicarboxylic acid, hexadecyl 3-methylbutyl ester

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

cis-Cyclohex-4-en-1,2-dicarboxylic acid, hexadecyl 3-methylbutyl ester
SpectraBase Compound ID BY1tB1s0ZIj
InChI InChI=1S/C29H52O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-32-28(30)26-20-17-18-21-27(26)29(31)33-24-22-25(2)3/h17-18,25-27H,4-16,19-24H2,1-3H3
InChIKey ORTDMZUJPDFFPI-UHFFFAOYSA-N
Mol Weight 464.7 g/mol
Molecular Formula C29H52O4
Exact Mass 464.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ao9LFOOXal8
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, hexadecyl 3-methylbutyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 464.386560150 u
Formula C29H52O4
InChI InChI=1S/C29H52O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-32-28(30)26-20-17-18-21-27(26)29(31)33-24-22-25(2)3/h17-18,25-27H,4-16,19-24H2,1-3H3
InChIKey ORTDMZUJPDFFPI-UHFFFAOYSA-N
Molecular Weight 464.731 g/mol
SMILES C=1CC(C(CC1)C(OCCC(C)C)=O)C(=O)OCCCCCCCCCCCCCCCC