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1,3,5-benzenetricarboxylic acid, trioctyl ester
SpectraBase Compound ID Ewc7IQ1t4Yp
InChI InChI=1S/C33H54O6/c1-4-7-10-13-16-19-22-37-31(34)28-25-29(32(35)38-23-20-17-14-11-8-5-2)27-30(26-28)33(36)39-24-21-18-15-12-9-6-3/h25-27H,4-24H2,1-3H3
InChIKey YQMVQCLVLBAKBX-UHFFFAOYSA-N
Mol Weight 546.8 g/mol
Molecular Formula C33H54O6
Exact Mass 546.392039 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6CohXcqA5Il
Name 1,3,5-benzenetricarboxylic acid, trioctyl ester
Alternate Name(s) Trioctyl benzene-1,3,5-tricarboxylate
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Formula C33H54O6
InChI InChI=1S/C33H54O6/c1-4-7-10-13-16-19-22-37-31(34)28-25-29(32(35)38-23-20-17-14-11-8-5-2)27-30(26-28)33(36)39-24-21-18-15-12-9-6-3/h25-27H,4-24H2,1-3H3
InChIKey YQMVQCLVLBAKBX-UHFFFAOYSA-N
Molecular Weight 546.789 g/mol
SMILES CCCCCCCCOC(=O)c1cc(cc(c1)C(=O)OCCCCCCCC)C(=O)OCCCCCCCC
SPLASH splash10-0c00-9504100000-9ae372747e2a10831639
Source of Spectrum JX-2015-4-1155
Wiley ID 1726549