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1,2,4-Butanetricarboxylic acid, trihexyl ester

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1,2,4-Butanetricarboxylic acid, trihexyl ester
SpectraBase Compound ID EmJjpO57tAv
InChI InChI=1S/C25H46O6/c1-4-7-10-13-18-29-23(26)17-16-22(25(28)31-20-15-12-9-6-3)21-24(27)30-19-14-11-8-5-2/h22H,4-21H2,1-3H3
InChIKey AITFSDOSMVZKLX-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 ggu6IX5Ids
Name 1,2,4-BUTANETRICARBOXYLIC ACID, TRIHEXYL ESTER
Source of Sample Union Carbide Corporation, New York, New York
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H46O6
InChI InChI=1S/C25H46O6/c1-4-7-10-13-18-29-23(26)17-16-22(25(28)31-20-15-12-9-6-3)21-24(27)30-19-14-11-8-5-2/h22H,4-21H2,1-3H3
InChIKey AITFSDOSMVZKLX-UHFFFAOYSA-N
Molecular Weight 442.64
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BUTANETRICARBOXYLIC ACID, 1,2,4-, TRIHEXYL ESTER