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

View entire compound with spectra: 1 NMR

Terephthalic acid, 3-methylbut-2-yl pentadecyl ester
SpectraBase Compound ID 3TayfUFgadE
InChI InChI=1S/C28H46O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-31-27(29)25-18-20-26(21-19-25)28(30)32-24(4)23(2)3/h18-21,23-24H,5-17,22H2,1-4H3
InChIKey DLIGMOFKAAPJSU-UHFFFAOYSA-N
Mol Weight 446.7 g/mol
Molecular Formula C28H46O4
Exact Mass 446.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DquMUU6Fdhp
Name Terephthalic acid, 3-methylbut-2-yl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.339609957 u
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-31-27(29)25-18-20-26(21-19-25)28(30)32-24(4)23(2)3/h18-21,23-24H,5-17,22H2,1-4H3
InChIKey DLIGMOFKAAPJSU-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES C1=C(C=CC(=C1)C(OCCCCCCCCCCCCCCC)=O)C(OC(C)C(C)C)=O