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Trihexyl trimellitate

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

Trihexyl trimellitate
SpectraBase Compound ID K1RZHdsN4m2
InChI InChI=1S/C27H42O6/c1-4-7-10-13-18-31-25(28)22-16-17-23(26(29)32-19-14-11-8-5-2)24(21-22)27(30)33-20-15-12-9-6-3/h16-17,21H,4-15,18-20H2,1-3H3
InChIKey MXHBQKVKHGQWRB-UHFFFAOYSA-N
Mol Weight 462.6 g/mol
Molecular Formula C27H42O6
Exact Mass 462.298139 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GPaY8TSSOdQ
Name Trihexyl trimellitate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 388998
CAS Registry Number 1528-49-0
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H42O6
InChI InChI=1S/C27H42O6/c1-4-7-10-13-18-31-25(28)22-16-17-23(26(29)32-19-14-11-8-5-2)24(21-22)27(30)33-20-15-12-9-6-3/h16-17,21H,4-15,18-20H2,1-3H3
InChIKey MXHBQKVKHGQWRB-UHFFFAOYSA-N
Observed nucleus 1H
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Trihexyl 1,2,4-benzenetricarboxylate
Wiley ID SIAL_1HNMR_008407