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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

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SpectraBase Spectrum ID J47P41ARmId
Name 1,2,4-Butanetricarboxylic acid, 1,4-bis(2-ethylhexyl)2-isobutyl ester
CAS Registry Number 96216-09-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name Varian HA-100
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3