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Terephthalic acid, 3-methylpentyl pentadecyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, 3-methylpentyl pentadecyl ester
SpectraBase Compound ID Kh8f3svFx6F
InChI InChI=1S/C29H48O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-23-32-28(30)26-18-20-27(21-19-26)29(31)33-24-22-25(3)5-2/h18-21,25H,4-17,22-24H2,1-3H3
InChIKey KUAHFKLUYMRASS-UHFFFAOYSA-N
Mol Weight 460.7 g/mol
Molecular Formula C29H48O4
Exact Mass 460.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4bzgrembYbl
Name Terephthalic acid, 3-methylpentyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 460.355260022 u
Formula C29H48O4
InChI InChI=1S/C29H48O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-23-32-28(30)26-18-20-27(21-19-26)29(31)33-24-22-25(3)5-2/h18-21,25H,4-17,22-24H2,1-3H3
InChIKey KUAHFKLUYMRASS-UHFFFAOYSA-N
Molecular Weight 460.699 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCCCCCCCCCCCCC)=O)C(OCCC(CC)C)=O