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cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-methylpent-3-yl pentadecyl ester

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cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-methylpent-3-yl pentadecyl ester
SpectraBase Compound ID jvPFDNCBPU
InChI InChI=1S/C29H52O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-20-23-32-28(30)25-21-18-19-22-26(25)29(31)33-27(6-2)24(3)4/h18-19,24-27H,5-17,20-23H2,1-4H3
InChIKey HYHXGSKODIMAPX-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 1U7VofRZeoI
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-methylpent-3-yl pentadecyl 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/c1-5-7-8-9-10-11-12-13-14-15-16-17-20-23-32-28(30)25-21-18-19-22-26(25)29(31)33-27(6-2)24(3)4/h18-19,24-27H,5-17,20-23H2,1-4H3
InChIKey HYHXGSKODIMAPX-UHFFFAOYSA-N
Molecular Weight 464.731 g/mol
SMILES C=1CC(C(CC1)C(OC(CC)C(C)C)=O)C(=O)OCCCCCCCCCCCCCCC