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Isophthalic acid, dec-2-yl dodecyl ester

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

Isophthalic acid, dec-2-yl dodecyl ester
SpectraBase Compound ID 6XC8D3WLbqr
InChI InChI=1S/C30H50O4/c1-4-6-8-10-12-13-14-15-17-19-24-33-29(31)27-22-20-23-28(25-27)30(32)34-26(3)21-18-16-11-9-7-5-2/h20,22-23,25-26H,4-19,21,24H2,1-3H3
InChIKey FDWYQFNOBNPYAG-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 Glk63SuYr1C
Name Isophthalic acid, dec-2-yl 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/c1-4-6-8-10-12-13-14-15-17-19-24-33-29(31)27-22-20-23-28(25-27)30(32)34-26(3)21-18-16-11-9-7-5-2/h20,22-23,25-26H,4-19,21,24H2,1-3H3
InChIKey FDWYQFNOBNPYAG-UHFFFAOYSA-N
Molecular Weight 474.726 g/mol
SMILES C1=C(C=CC=C1C(OC(C)CCCCCCCC)=O)C(=O)OCCCCCCCCCCCC