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1,2,4-Butanetricarboxylic acid, 1,4-bis[(3-cyclohexen-1-yl)-methyl]-2-ethyl-hexyl ester

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1,2,4-Butanetricarboxylic acid, 1,4-bis[(3-cyclohexen-1-yl)-methyl]-2-ethyl-hexyl ester
SpectraBase Compound ID 20YtvHLFkzo
InChI InChI=1S/C29H46O6/c1-3-5-12-23(4-2)20-35-29(32)26(19-28(31)34-22-25-15-10-7-11-16-25)17-18-27(30)33-21-24-13-8-6-9-14-24/h6-8,10,23-26H,3-5,9,11-22H2,1-2H3
InChIKey CLXJABYQKDRHRW-UHFFFAOYSA-N
Mol Weight 490.7 g/mol
Molecular Formula C29H46O6
Exact Mass 490.329439 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8VTXapfwcEy
Name 1,2,4-BUTANETRICARBOXYLIC ACID, 1,4-BIS[(3-CYCLOHEXEN-1-YL)METHYL](2-ETHYLHEXYL) ESTER
Source of Sample Union Carbide Corporation, New York, New York
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H46O6
InChI InChI=1S/C29H46O6/c1-3-5-12-23(4-2)20-35-29(32)26(19-28(31)34-22-25-15-10-7-11-16-25)17-18-27(30)33-21-24-13-8-6-9-14-24/h6-8,10,23-26H,3-5,9,11-22H2,1-2H3
InChIKey CLXJABYQKDRHRW-UHFFFAOYSA-N
Molecular Weight 490.69
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BUTANETRICARBOXYLIC ACID, 1,2,4-, 1,4-BIS/3-CYCLOHEXEN-1-YLMETHYL/ 2-/2-ETHYLHEXYL/ ESTER