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Isophthalic acid, 2-methylprop-2-en-1-yl pentadecyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 2-methylprop-2-en-1-yl pentadecyl ester
SpectraBase Compound ID A2L3IF61nY2
InChI InChI=1S/C27H42O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-30-26(28)24-18-17-19-25(21-24)27(29)31-22-23(2)3/h17-19,21H,2,4-16,20,22H2,1,3H3
InChIKey WVKFYGCJGIHUOM-UHFFFAOYSA-N
Mol Weight 430.6 g/mol
Molecular Formula C27H42O4
Exact Mass 430.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LZONXfhz8BL
Name Isophthalic acid, 2-methylprop-2-en-1-yl pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.308309828 u
Formula C27H42O4
InChI InChI=1S/C27H42O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-30-26(28)24-18-17-19-25(21-24)27(29)31-22-23(2)3/h17-19,21H,2,4-16,20,22H2,1,3H3
InChIKey WVKFYGCJGIHUOM-UHFFFAOYSA-N
Molecular Weight 430.629 g/mol
SMILES CCCCCCCCCCCCCCCOC(C=1C=C(C(OCC(C)=C)=O)C=CC1)=O