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Trihexyl O-butyrylcitrate

View entire compound with spectra: 2 NMR, and 1 FTIR

Trihexyl O-butyrylcitrate
SpectraBase Compound ID nzS9F7iWBC
InChI InChI=1S/C28H50O8/c1-5-9-12-15-19-33-25(30)22-28(36-24(29)18-8-4,27(32)35-21-17-14-11-7-3)23-26(31)34-20-16-13-10-6-2/h5-23H2,1-4H3
InChIKey GWVUTNGDMGTPFE-UHFFFAOYSA-N
Mol Weight 514.7 g/mol
Molecular Formula C28H50O8
Exact Mass 514.350569 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 1epS8ADeehd
Name Trihexyl O-butyrylcitrate
Source of Sample Aldrich
Catalog Number 388971
CAS Registry Number 82469-79-2
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H50O8
InChI InChI=1S/C28H50O8/c1-5-9-12-15-19-33-25(30)22-28(36-24(29)18-8-4,27(32)35-21-17-14-11-7-3)23-26(31)34-20-16-13-10-6-2/h5-23H2,1-4H3
InChIKey GWVUTNGDMGTPFE-UHFFFAOYSA-N
Purity 99%
Synonyms trihexyl 2-butanoyloxypropane-1,2,3-tricarboxylate
Wiley ID SIAL_ATR-IR_018118