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1,2,4-Butanetricarboxylic acid, tris(2-methyl-pentyl) ester

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

1,2,4-Butanetricarboxylic acid, tris(2-methyl-pentyl) ester
SpectraBase Compound ID HxrDP23JGR
InChI InChI=1S/C25H46O6/c1-7-10-19(4)16-29-23(26)14-13-22(25(28)31-18-21(6)12-9-3)15-24(27)30-17-20(5)11-8-2/h19-22H,7-18H2,1-6H3
InChIKey VVISSDOPKMZYCX-UHFFFAOYSA-N
Mol Weight 442.6 g/mol
Molecular Formula C25H46O6
Exact Mass 442.329439 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8FOuCvl6g5w
Name 1,2,4-BUTANETRICARBOXYLIC ACID, TRIS(2-METHYLPENTYL) ESTER
Source of Sample Union Carbide Corporation, New York, New York
Boiling Point 138C/2.3mm
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H46O6
InChI InChI=1S/C25H46O6/c1-7-10-19(4)16-29-23(26)14-13-22(25(28)31-18-21(6)12-9-3)15-24(27)30-17-20(5)11-8-2/h19-22H,7-18H2,1-6H3
InChIKey VVISSDOPKMZYCX-UHFFFAOYSA-N
Molecular Weight 442.64
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BUTANETRICARBOXYLIC ACID, 1,2,4-, TRIS/2-METHYLPENTYL/ ESTER