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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

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jd2Z5KwfQm8
Name 1,2,4-butanetricarboxylic acid, trihexyl ester
Source of Sample R. L. Roberts & J. W. Lynn, Union Carbide Chemicals Company, New York, New York
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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
Instrument Name Varian A-60
Literature Reference JOCE 26, 3757(1961)
Optical Properties Index of Refraction= (30C) 1.4448
Sadtler NMR Number 7478M
Solvent CCl4
Synonyms BUTANETRICARBOXYLIC ACID, 1,2,4-, TRIHEXYL ESTER