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Phthalic acid, 2-methylbenzyl nonyl ester
SpectraBase Compound ID FHJydNzeQfY
InChI InChI=1S/C25H32O4/c1-3-4-5-6-7-8-13-18-28-24(26)22-16-11-12-17-23(22)25(27)29-19-21-15-10-9-14-20(21)2/h9-12,14-17H,3-8,13,18-19H2,1-2H3
InChIKey IYAJXIOTPDVLHK-UHFFFAOYSA-N
Mol Weight 396.5 g/mol
Molecular Formula C25H32O4
Exact Mass 396.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L7AKSYgRsmZ
Name Phthalic acid, 2-methylbenzyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 396.230059506 u
Formula C25H32O4
InChI InChI=1S/C25H32O4/c1-3-4-5-6-7-8-13-18-28-24(26)22-16-11-12-17-23(22)25(27)29-19-21-15-10-9-14-20(21)2/h9-12,14-17H,3-8,13,18-19H2,1-2H3
InChIKey IYAJXIOTPDVLHK-UHFFFAOYSA-N
Molecular Weight 396.527 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCC1=CC=CC=C1C)C(=O)OCCCCCCCCC