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

View entire compound with spectra: 1 NMR

Terephthalic acid, hexadecyl 2-methylpent-3-yl ester
SpectraBase Compound ID HSFxUVF9qLH
InChI InChI=1S/C30H50O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-24-33-29(31)26-20-22-27(23-21-26)30(32)34-28(6-2)25(3)4/h20-23,25,28H,5-19,24H2,1-4H3
InChIKey UDLFEPJKDMDGCE-UHFFFAOYSA-N
Mol Weight 474.7 g/mol
Molecular Formula C30H50O4
Exact Mass 474.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GevpByPtWEU
Name Terephthalic acid, hexadecyl 2-methylpent-3-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 474.370910086 u
Formula C30H50O4
InChI InChI=1S/C30H50O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-24-33-29(31)26-20-22-27(23-21-26)30(32)34-28(6-2)25(3)4/h20-23,25,28H,5-19,24H2,1-4H3
InChIKey UDLFEPJKDMDGCE-UHFFFAOYSA-N
Molecular Weight 474.726 g/mol
SMILES C(C(OC(C1=CC=C(C(OCCCCCCCCCCCCCCCC)=O)C=C1)=O)CC)(C)C