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Diheptyl nonyl trimellitate

View entire compound with spectra: 1 NMR

Diheptyl nonyl trimellitate
SpectraBase Compound ID LMPlk1DXMFr
InChI InChI=1S/C32H52O6/c1-4-7-10-13-14-17-20-23-36-30(33)27-21-22-28(31(34)37-24-18-15-11-8-5-2)29(26-27)32(35)38-25-19-16-12-9-6-3/h21-22,26H,4-20,23-25H2,1-3H3
InChIKey RNWVNRBXNZPMRZ-UHFFFAOYSA-N
Mol Weight 532.8 g/mol
Molecular Formula C32H52O6
Exact Mass 532.376389 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DSXRWddYEmi
Name Diheptyl nonyl trimellitate
Comments Computed using HOSE algorithm
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Exact Mass 532.376389388 u
Formula C32H52O6
InChI InChI=1S/C32H52O6/c1-4-7-10-13-14-17-20-23-36-30(33)27-21-22-28(31(34)37-24-18-15-11-8-5-2)29(26-27)32(35)38-25-19-16-12-9-6-3/h21-22,26H,4-20,23-25H2,1-3H3
InChIKey RNWVNRBXNZPMRZ-UHFFFAOYSA-N
Molecular Weight 532.762 g/mol
SMILES C1=C(C(C(OCCCCCCC)=O)=CC(=C1)C(=O)OCCCCCCCCC)C(OCCCCCCC)=O