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-methylpentyl) 2-(2-ethylhexyl) ester

View entire compound with spectra: 3 NMR, and 1 FTIR

1,2,4-butanetricarboxylic acid, 1,4-bis(2-methylpentyl) 2-(2-ethylhexyl) ester
SpectraBase Compound ID I4F2OdvkYXH
InChI InChI=1S/C27H50O6/c1-7-11-14-23(10-4)20-33-27(30)24(17-26(29)32-19-22(6)13-9-3)15-16-25(28)31-18-21(5)12-8-2/h21-24H,7-20H2,1-6H3
InChIKey WEVQKQWCWFOYDO-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 8LNE69DJR5U
Name 1,2,4-BUTANETRICARBOXYLIC ACID, 1,4-BIS(2-METHYLPENTYL) 2-(2-ETHYLHEXYL) 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/c1-7-11-14-23(10-4)20-33-27(30)24(17-26(29)32-19-22(6)13-9-3)15-16-25(28)31-18-21(5)12-8-2/h21-24H,7-20H2,1-6H3
InChIKey WEVQKQWCWFOYDO-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-METHYLPENTYL/ 2-/2-ETHYL- HEXYL/ ESTER