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

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cis-Cyclohex-4-en-1,2-dicarboxylic acid, 3-methylbutyl octadecyl ester
SpectraBase Compound ID 2ph8HKj0N1L
InChI InChI=1S/C31H56O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-34-30(32)28-22-19-20-23-29(28)31(33)35-26-24-27(2)3/h19-20,27-29H,4-18,21-26H2,1-3H3
InChIKey AFLIMLPNYXLSPQ-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 BF4dmbpDnnC
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, 3-methylbutyl octadecyl 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/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-34-30(32)28-22-19-20-23-29(28)31(33)35-26-24-27(2)3/h19-20,27-29H,4-18,21-26H2,1-3H3
InChIKey AFLIMLPNYXLSPQ-UHFFFAOYSA-N
Molecular Weight 492.785 g/mol
SMILES C=1CC(C(CC1)C(OCCC(C)C)=O)C(=O)OCCCCCCCCCCCCCCCCCC