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

View entire compound with spectra: 1 NMR

Isophthalic acid, 2-methylprop-2-en-1-yl undecyl ester
SpectraBase Compound ID 52EqkpwyWrj
InChI InChI=1S/C23H34O4/c1-4-5-6-7-8-9-10-11-12-16-26-22(24)20-14-13-15-21(17-20)23(25)27-18-19(2)3/h13-15,17H,2,4-12,16,18H2,1,3H3
InChIKey VDOVZIWCQHESRM-UHFFFAOYSA-N
Mol Weight 374.5 g/mol
Molecular Formula C23H34O4
Exact Mass 374.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8CDJxFwkODn
Name Isophthalic acid, 2-methylprop-2-en-1-yl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 374.245709571 u
Formula C23H34O4
InChI InChI=1S/C23H34O4/c1-4-5-6-7-8-9-10-11-12-16-26-22(24)20-14-13-15-21(17-20)23(25)27-18-19(2)3/h13-15,17H,2,4-12,16,18H2,1,3H3
InChIKey VDOVZIWCQHESRM-UHFFFAOYSA-N
Molecular Weight 374.521 g/mol
SMILES CCCCCCCCCCCOC(C=1C=C(C(OCC(C)=C)=O)C=CC1)=O