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Isophthalic acid, decyl 2-methylcyclohexyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, decyl 2-methylcyclohexyl ester
SpectraBase Compound ID 64TaJCuwXR3
InChI InChI=1S/C25H38O4/c1-3-4-5-6-7-8-9-12-18-28-24(26)21-15-13-16-22(19-21)25(27)29-23-17-11-10-14-20(23)2/h13,15-16,19-20,23H,3-12,14,17-18H2,1-2H3
InChIKey IKESYGHOWXFUSS-UHFFFAOYSA-N
Mol Weight 402.6 g/mol
Molecular Formula C25H38O4
Exact Mass 402.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 16bqgcdBaBL
Name Isophthalic acid, decyl 2-methylcyclohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 402.277009700 u
Formula C25H38O4
InChI InChI=1S/C25H38O4/c1-3-4-5-6-7-8-9-12-18-28-24(26)21-15-13-16-22(19-21)25(27)29-23-17-11-10-14-20(23)2/h13,15-16,19-20,23H,3-12,14,17-18H2,1-2H3
InChIKey IKESYGHOWXFUSS-UHFFFAOYSA-N
Molecular Weight 402.575 g/mol
SMILES CCCCCCCCCCOC(C=1C=C(C(OC2CCCCC2C)=O)C=CC1)=O