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Isophthalic acid, 2-methylcyclohexyl undecyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 2-methylcyclohexyl undecyl ester
SpectraBase Compound ID LlVyLGTvmGd
InChI InChI=1S/C26H40O4/c1-3-4-5-6-7-8-9-10-13-19-29-25(27)22-16-14-17-23(20-22)26(28)30-24-18-12-11-15-21(24)2/h14,16-17,20-21,24H,3-13,15,18-19H2,1-2H3
InChIKey NWLKURLKARMJMS-UHFFFAOYSA-N
Mol Weight 416.6 g/mol
Molecular Formula C26H40O4
Exact Mass 416.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FqgNZOtebLD
Name Isophthalic acid, 2-methylcyclohexyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 416.292659764 u
Formula C26H40O4
InChI InChI=1S/C26H40O4/c1-3-4-5-6-7-8-9-10-13-19-29-25(27)22-16-14-17-23(20-22)26(28)30-24-18-12-11-15-21(24)2/h14,16-17,20-21,24H,3-13,15,18-19H2,1-2H3
InChIKey NWLKURLKARMJMS-UHFFFAOYSA-N
Molecular Weight 416.602 g/mol
SMILES C1CC(C(CC1)OC(C1=CC(=CC=C1)C(OCCCCCCCCCCC)=O)=O)C