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Phthalic acid, 3-methoxybenzyl nonyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3-methoxybenzyl nonyl ester
SpectraBase Compound ID GVGOKxVo5dQ
InChI InChI=1S/C25H32O5/c1-3-4-5-6-7-8-11-17-29-24(26)22-15-9-10-16-23(22)25(27)30-19-20-13-12-14-21(18-20)28-2/h9-10,12-16,18H,3-8,11,17,19H2,1-2H3
InChIKey RNVCMTMTALCQIP-UHFFFAOYSA-N
Mol Weight 412.5 g/mol
Molecular Formula C25H32O5
Exact Mass 412.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1XiHiXa37Su
Name Phthalic acid, 3-methoxybenzyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 412.224974125 u
Formula C25H32O5
InChI InChI=1S/C25H32O5/c1-3-4-5-6-7-8-11-17-29-24(26)22-15-9-10-16-23(22)25(27)30-19-20-13-12-14-21(18-20)28-2/h9-10,12-16,18H,3-8,11,17,19H2,1-2H3
InChIKey RNVCMTMTALCQIP-UHFFFAOYSA-N
Molecular Weight 412.526 g/mol
SMILES C(C1=CC=CC=C1C(OCC1=CC=CC(OC)=C1)=O)(OCCCCCCCCC)=O