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Phthalic acid, 3-methoxybenzyl undecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3-methoxybenzyl undecyl ester
SpectraBase Compound ID hgWRDR06P5
InChI InChI=1S/C27H36O5/c1-3-4-5-6-7-8-9-10-13-19-31-26(28)24-17-11-12-18-25(24)27(29)32-21-22-15-14-16-23(20-22)30-2/h11-12,14-18,20H,3-10,13,19,21H2,1-2H3
InChIKey PAISZXYDNULBRJ-UHFFFAOYSA-N
Mol Weight 440.6 g/mol
Molecular Formula C27H36O5
Exact Mass 440.256274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B35UhMoZ1aj
Name Phthalic acid, 3-methoxybenzyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 440.256274254 u
Formula C27H36O5
InChI InChI=1S/C27H36O5/c1-3-4-5-6-7-8-9-10-13-19-31-26(28)24-17-11-12-18-25(24)27(29)32-21-22-15-14-16-23(20-22)30-2/h11-12,14-18,20H,3-10,13,19,21H2,1-2H3
InChIKey PAISZXYDNULBRJ-UHFFFAOYSA-N
Molecular Weight 440.580 g/mol
SMILES C(C1=CC=CC=C1C(OCC1=CC=CC(OC)=C1)=O)(OCCCCCCCCCCC)=O