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Phthalic acid, 2-methylpent-3-yl nonyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-methylpent-3-yl nonyl ester
SpectraBase Compound ID 6xH37bKp00z
InChI InChI=1S/C23H36O4/c1-5-7-8-9-10-11-14-17-26-22(24)19-15-12-13-16-20(19)23(25)27-21(6-2)18(3)4/h12-13,15-16,18,21H,5-11,14,17H2,1-4H3
InChIKey MCJMYDVPNLTGEZ-UHFFFAOYSA-N
Mol Weight 376.5 g/mol
Molecular Formula C23H36O4
Exact Mass 376.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8l4XgxiJeN3
Name Phthalic acid, 2-methylpent-3-yl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 376.261359635 u
Formula C23H36O4
InChI InChI=1S/C23H36O4/c1-5-7-8-9-10-11-14-17-26-22(24)19-15-12-13-16-20(19)23(25)27-21(6-2)18(3)4/h12-13,15-16,18,21H,5-11,14,17H2,1-4H3
InChIKey MCJMYDVPNLTGEZ-UHFFFAOYSA-N
Molecular Weight 376.537 g/mol
SMILES C1(=CC=CC=C1C(OC(CC)C(C)C)=O)C(=O)OCCCCCCCCC