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Terephthalic acid, 3-hexyl pentadecyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, 3-hexyl pentadecyl ester
SpectraBase Compound ID LVVoNGMoyOM
InChI InChI=1S/C29H48O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-24-32-28(30)25-20-22-26(23-21-25)29(31)33-27(6-3)19-5-2/h20-23,27H,4-19,24H2,1-3H3
InChIKey YVFZFNFUUQCJEX-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 KTpqcfHJGdr
Name Terephthalic acid, 3-hexyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 460.355260022 u
Formula C29H48O4
InChI InChI=1S/C29H48O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-24-32-28(30)25-20-22-26(23-21-25)29(31)33-27(6-3)19-5-2/h20-23,27H,4-19,24H2,1-3H3
InChIKey YVFZFNFUUQCJEX-UHFFFAOYSA-N
Molecular Weight 460.699 g/mol
SMILES C1=CC(=CC=C1C(OCCCCCCCCCCCCCCC)=O)C(OC(CCC)CC)=O