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Tricapryl trimellitate
SpectraBase Compound ID GkKDPFzvYoH
InChI InChI=1S/C33H54O6/c1-25(2)16-10-7-13-21-37-31(34)28-19-20-29(32(35)38-22-14-8-11-17-26(3)4)30(24-28)33(36)39-23-15-9-12-18-27(5)6/h19-20,24-27H,7-18,21-23H2,1-6H3
InChIKey WDRCVXGINNJWPH-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 E6Zdf5tgKrJ
Name Triisooctyl trimellitate
Alternate Name(s) benzene-1,2,4-tricarboxylic acid tris(6-methylheptyl) ester Tris(6-methylheptyl) benzene-1,2,4-tricarboxylate
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Formula C33H54O6
InChI InChI=1S/C33H54O6/c1-25(2)16-10-7-13-21-37-31(34)28-19-20-29(32(35)38-22-14-8-11-17-26(3)4)30(24-28)33(36)39-23-15-9-12-18-27(5)6/h19-20,24-27H,7-18,21-23H2,1-6H3
InChIKey WDRCVXGINNJWPH-UHFFFAOYSA-N
Molecular Weight 546.789 g/mol
SMILES c1(c(C(=O)OCCCCCC(C)C)ccc(c1)C(=O)OCCCCCC(C)C)C(=O)OCCCCCC(C)C
SPLASH splash10-0a4i-9102100000-92e4f1236c8fef7b0d51
Source of Spectrum IC-1261-0-0
Wiley ID 1405292