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Terephthalic acid, 2-methylpent-3-yl pentadecyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, 2-methylpent-3-yl pentadecyl ester
SpectraBase Compound ID ESCs5bCpPas
InChI InChI=1S/C29H48O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-23-32-28(30)25-19-21-26(22-20-25)29(31)33-27(6-2)24(3)4/h19-22,24,27H,5-18,23H2,1-4H3
InChIKey WBOBVJMLLCFPSM-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 13lvDapyR0C
Name Terephthalic acid, 2-methylpent-3-yl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 460.355260022 u
Formula C29H48O4
InChI InChI=1S/C29H48O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-23-32-28(30)25-19-21-26(22-20-25)29(31)33-27(6-2)24(3)4/h19-22,24,27H,5-18,23H2,1-4H3
InChIKey WBOBVJMLLCFPSM-UHFFFAOYSA-N
Molecular Weight 460.699 g/mol
SMILES C(C(OC(C1=CC=C(C(OCCCCCCCCCCCCCCC)=O)C=C1)=O)CC)(C)C