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Phthalic acid, hexadecyl 2-methylbenzyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, hexadecyl 2-methylbenzyl ester
SpectraBase Compound ID BcoZ4Eh1uGX
InChI InChI=1S/C32H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25-35-31(33)29-23-18-19-24-30(29)32(34)36-26-28-22-17-16-21-27(28)2/h16-19,21-24H,3-15,20,25-26H2,1-2H3
InChIKey RZSOXFATAWPBPH-UHFFFAOYSA-N
Mol Weight 494.7 g/mol
Molecular Formula C32H46O4
Exact Mass 494.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AnGinfjmgZr
Name Phthalic acid, hexadecyl 2-methylbenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 494.339609957 u
Formula C32H46O4
InChI InChI=1S/C32H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25-35-31(33)29-23-18-19-24-30(29)32(34)36-26-28-22-17-16-21-27(28)2/h16-19,21-24H,3-15,20,25-26H2,1-2H3
InChIKey RZSOXFATAWPBPH-UHFFFAOYSA-N
Molecular Weight 494.716 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCC1=CC=CC=C1C)C(=O)OCCCCCCCCCCCCCCCC