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Isophthalic acid, decyl 2-ethylhexyl ester
SpectraBase Compound ID FEoPGEv0Jxt
InChI InChI=1S/C26H42O4/c1-4-7-9-10-11-12-13-14-19-29-25(27)23-17-15-18-24(20-23)26(28)30-21-22(6-3)16-8-5-2/h15,17-18,20,22H,4-14,16,19,21H2,1-3H3
InChIKey UVLAAWYNPWCTIL-UHFFFAOYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C26H42O4
Exact Mass 418.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6BRm49NpmYA
Name Isophthalic acid, decyl 2-ethylhexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 418.308309828 u
Formula C26H42O4
InChI InChI=1S/C26H42O4/c1-4-7-9-10-11-12-13-14-19-29-25(27)23-17-15-18-24(20-23)26(28)30-21-22(6-3)16-8-5-2/h15,17-18,20,22H,4-14,16,19,21H2,1-3H3
InChIKey UVLAAWYNPWCTIL-UHFFFAOYSA-N
Molecular Weight 418.618 g/mol
SMILES CCCCCCCCCCOC(C=1C=C(C(OCC(CCCC)CC)=O)C=CC1)=O