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Terephthalic acid, 2-decyl dodecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Terephthalic acid, 2-decyl dodecyl ester
SpectraBase Compound ID 4yLYYBwXmam
InChI InChI=1S/C30H50O4/c1-4-6-8-10-12-13-14-15-17-19-25-33-29(31)27-21-23-28(24-22-27)30(32)34-26(3)20-18-16-11-9-7-5-2/h21-24,26H,4-20,25H2,1-3H3
InChIKey WXURNPWXNQNKDR-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 3khJJbdNDyO
Name Terephthalic acid, 2-decyl dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 474.370910086 u
Formula C30H50O4
InChI InChI=1S/C30H50O4/c1-4-6-8-10-12-13-14-15-17-19-25-33-29(31)27-21-23-28(24-22-27)30(32)34-26(3)20-18-16-11-9-7-5-2/h21-24,26H,4-20,25H2,1-3H3
InChIKey WXURNPWXNQNKDR-UHFFFAOYSA-N
Molecular Weight 474.726 g/mol
SMILES C1=CC(=CC=C1C(OCCCCCCCCCCCC)=O)C(OC(CCCCCCCC)C)=O