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Phthalic acid, 2-methylbenzyl undecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-methylbenzyl undecyl ester
SpectraBase Compound ID JXV2UDq8yGP
InChI InChI=1S/C27H36O4/c1-3-4-5-6-7-8-9-10-15-20-30-26(28)24-18-13-14-19-25(24)27(29)31-21-23-17-12-11-16-22(23)2/h11-14,16-19H,3-10,15,20-21H2,1-2H3
InChIKey HFKRYQCBGYDZNH-UHFFFAOYSA-N
Mol Weight 424.6 g/mol
Molecular Formula C27H36O4
Exact Mass 424.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IbrcVphaVja
Name Phthalic acid, 2-methylbenzyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 424.261359635 u
Formula C27H36O4
InChI InChI=1S/C27H36O4/c1-3-4-5-6-7-8-9-10-15-20-30-26(28)24-18-13-14-19-25(24)27(29)31-21-23-17-12-11-16-22(23)2/h11-14,16-19H,3-10,15,20-21H2,1-2H3
InChIKey HFKRYQCBGYDZNH-UHFFFAOYSA-N
Molecular Weight 424.581 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCC1=CC=CC=C1C)C(=O)OCCCCCCCCCCC