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Phthalic acid, 2-ethylcyclohexyl isobutyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-ethylcyclohexyl isobutyl ester
SpectraBase Compound ID HrysPZyoSza
InChI InChI=1S/C20H28O4/c1-4-15-9-5-8-12-18(15)24-20(22)17-11-7-6-10-16(17)19(21)23-13-14(2)3/h6-7,10-11,14-15,18H,4-5,8-9,12-13H2,1-3H3
InChIKey IRMNYZRWHUOWMI-UHFFFAOYSA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6xguX9I3Vtp
Name Phthalic acid, 2-ethylcyclohexyl isobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 332.198759378 u
Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-4-15-9-5-8-12-18(15)24-20(22)17-11-7-6-10-16(17)19(21)23-13-14(2)3/h6-7,10-11,14-15,18H,4-5,8-9,12-13H2,1-3H3
InChIKey IRMNYZRWHUOWMI-UHFFFAOYSA-N
Molecular Weight 332.440 g/mol
SMILES C(OC1C(CCCC1)CC)(=O)C1=C(C=CC=C1)C(OCC(C)C)=O