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

View entire compound with spectra: 1 NMR

cis-Cyclohex-4-en-1,2-dicarboxylic acid, octadecyl pentyl ester
SpectraBase Compound ID BleK0NGvTlU
InChI InChI=1S/C31H56O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-27-35-31(33)29-25-21-20-24-28(29)30(32)34-26-22-6-4-2/h20-21,28-29H,3-19,22-27H2,1-2H3
InChIKey RKUMSVQAVHURQE-UHFFFAOYSA-N
Mol Weight 492.8 g/mol
Molecular Formula C31H56O4
Exact Mass 492.41786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 36RafyXLUbV
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, octadecyl pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 492.417860279 u
Formula C31H56O4
InChI InChI=1S/C31H56O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-27-35-31(33)29-25-21-20-24-28(29)30(32)34-26-22-6-4-2/h20-21,28-29H,3-19,22-27H2,1-2H3
InChIKey RKUMSVQAVHURQE-UHFFFAOYSA-N
Molecular Weight 492.785 g/mol
SMILES C=1CC(C(CC1)C(OCCCCCCCCCCCCCCCCCC)=O)C(=O)OCCCCC