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Isophthalic acid, isobutyl 2-methylcyclohexyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, isobutyl 2-methylcyclohexyl ester
SpectraBase Compound ID DEyylXOcaOX
InChI InChI=1S/C19H26O4/c1-13(2)12-22-18(20)15-8-6-9-16(11-15)19(21)23-17-10-5-4-7-14(17)3/h6,8-9,11,13-14,17H,4-5,7,10,12H2,1-3H3
InChIKey BIDYCDNIIRTKOD-UHFFFAOYSA-N
Mol Weight 318.41 g/mol
Molecular Formula C19H26O4
Exact Mass 318.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HsD6BfSoRRD
Name Isophthalic acid, isobutyl 2-methylcyclohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 318.183109313 u
Formula C19H26O4
InChI InChI=1S/C19H26O4/c1-13(2)12-22-18(20)15-8-6-9-16(11-15)19(21)23-17-10-5-4-7-14(17)3/h6,8-9,11,13-14,17H,4-5,7,10,12H2,1-3H3
InChIKey BIDYCDNIIRTKOD-UHFFFAOYSA-N
Molecular Weight 318.413 g/mol
SMILES C1C(C(CCC1)C)OC(C1=CC(=CC=C1)C(OCC(C)C)=O)=O