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citric acid, trihexyl ester, acetate

View entire compound with spectra: 3 NMR, and 2 FTIR

citric acid, trihexyl ester, acetate
SpectraBase Compound ID 16tSktRKPl1
InChI InChI=1S/C26H46O8/c1-5-8-11-14-17-31-23(28)20-26(34-22(4)27,25(30)33-19-16-13-10-7-3)21-24(29)32-18-15-12-9-6-2/h5-21H2,1-4H3
InChIKey TUUQISRYLMFKOG-UHFFFAOYSA-N
Mol Weight 486.6 g/mol
Molecular Formula C26H46O8
Exact Mass 486.319268 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7qwnSQu9Lmu
Name Trihexyl O-acetylcitrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 388963
CAS Registry Number 24817-92-3
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H46O8
InChI InChI=1S/C26H46O8/c1-5-8-11-14-17-31-23(28)20-26(34-22(4)27,25(30)33-19-16-13-10-7-3)21-24(29)32-18-15-12-9-6-2/h5-21H2,1-4H3
InChIKey TUUQISRYLMFKOG-UHFFFAOYSA-N
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_008480