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

View entire compound with spectra: 1 NMR

Terephthalic acid, 2-methylpent-3-yl tetradecyl ester
SpectraBase Compound ID 76jhfAXj80K
InChI InChI=1S/C28H46O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-22-31-27(29)24-18-20-25(21-19-24)28(30)32-26(6-2)23(3)4/h18-21,23,26H,5-17,22H2,1-4H3
InChIKey ZNZMXJGKTWERDF-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 2Qcx5cDPzSB
Name Terephthalic acid, 2-methylpent-3-yl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.339609957 u
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-22-31-27(29)24-18-20-25(21-19-24)28(30)32-26(6-2)23(3)4/h18-21,23,26H,5-17,22H2,1-4H3
InChIKey ZNZMXJGKTWERDF-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES C(C(OC(C1=CC=C(C(OCCCCCCCCCCCCCC)=O)C=C1)=O)CC)(C)C