For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1,2,4-Butanetricarboxylic acid, 1,4-bis(2-ethylhexyl)2-isobutyl ester

View entire compound with spectra: 2 NMR, and 1 FTIR

1,2,4-Butanetricarboxylic acid, 1,4-bis(2-ethylhexyl)2-isobutyl ester
SpectraBase Compound ID 4mtWz0zIJgL
InChI InChI=1S/C27H50O6/c1-7-11-13-22(9-3)19-31-25(28)16-15-24(27(30)33-18-21(5)6)17-26(29)32-20-23(10-4)14-12-8-2/h21-24H,7-20H2,1-6H3
InChIKey JKBQGOAADYQANE-UHFFFAOYSA-N
Mol Weight 470.7 g/mol
Molecular Formula C27H50O6
Exact Mass 470.360739 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID An3MgL2Hi5Q
Name 1,2,4-BUTANETRICARBOXYLIC ACID, 1,4-BIS(2-ETHYLHEXYL) 2-ISOBUTYL ESTER
Source of Sample Union Carbide Corporation, New York, New York
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H50O6
InChI InChI=1S/C27H50O6/c1-7-11-13-22(9-3)19-31-25(28)16-15-24(27(30)33-18-21(5)6)17-26(29)32-20-23(10-4)14-12-8-2/h21-24H,7-20H2,1-6H3
InChIKey JKBQGOAADYQANE-UHFFFAOYSA-N
Molecular Weight 470.70
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BUTANETRICARBOXYLIC ACID, 1,2,4-, 1,4-BIS/2-ETHYLHEXYL/ 2-ISOBUTYL ESTER