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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

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SpectraBase Spectrum ID 47WswNpaBmV
Name 1,2,4-Butanetricarboxcylic acid, 1,4-bis(2-methyl-pentyl) 2-(2-ethyl-hexyl) ester
CAS Registry Number 97256-23-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name Varian HA-100
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3