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Trinonyl trimellitate

View entire compound with spectra: 1 NMR

Trinonyl trimellitate
SpectraBase Compound ID CluCeep5ezx
InChI InChI=1S/C36H60O6/c1-4-7-10-13-16-19-22-27-40-34(37)31-25-26-32(35(38)41-28-23-20-17-14-11-8-5-2)33(30-31)36(39)42-29-24-21-18-15-12-9-6-3/h25-26,30H,4-24,27-29H2,1-3H3
InChIKey ROPPTGKKZZDFJN-UHFFFAOYSA-N
Mol Weight 588.9 g/mol
Molecular Formula C36H60O6
Exact Mass 588.43899 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9LObexOBE01
Name Trinonyl trimellitate
Comments Computed using HOSE algorithm
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Exact Mass 588.438989646 u
Formula C36H60O6
InChI InChI=1S/C36H60O6/c1-4-7-10-13-16-19-22-27-40-34(37)31-25-26-32(35(38)41-28-23-20-17-14-11-8-5-2)33(30-31)36(39)42-29-24-21-18-15-12-9-6-3/h25-26,30H,4-24,27-29H2,1-3H3
InChIKey ROPPTGKKZZDFJN-UHFFFAOYSA-N
Molecular Weight 588.870 g/mol
SMILES C1=C(C(C(OCCCCCCCCC)=O)=CC(=C1)C(=O)OCCCCCCCCC)C(OCCCCCCCCC)=O