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

View entire compound with spectra: 1 NMR

Terephthalic acid, 2-methylpent-3-yl tridecyl ester
SpectraBase Compound ID ImIOMjwsHb7
InChI InChI=1S/C27H44O4/c1-5-7-8-9-10-11-12-13-14-15-16-21-30-26(28)23-17-19-24(20-18-23)27(29)31-25(6-2)22(3)4/h17-20,22,25H,5-16,21H2,1-4H3
InChIKey PUIPASLMTUENLR-UHFFFAOYSA-N
Mol Weight 432.6 g/mol
Molecular Formula C27H44O4
Exact Mass 432.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FW6uqvvCPlj
Name Terephthalic acid, 2-methylpent-3-yl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 432.323959893 u
Formula C27H44O4
InChI InChI=1S/C27H44O4/c1-5-7-8-9-10-11-12-13-14-15-16-21-30-26(28)23-17-19-24(20-18-23)27(29)31-25(6-2)22(3)4/h17-20,22,25H,5-16,21H2,1-4H3
InChIKey PUIPASLMTUENLR-UHFFFAOYSA-N
Molecular Weight 432.645 g/mol
SMILES C(C(OC(C1=CC=C(C(OCCCCCCCCCCCCC)=O)C=C1)=O)CC)(C)C