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Phthalic acid, 2-ethylcyclohexyl pentyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-ethylcyclohexyl pentyl ester
SpectraBase Compound ID Ci5Us9Hvzlz
InChI InChI=1S/C21H30O4/c1-3-5-10-15-24-20(22)17-12-7-8-13-18(17)21(23)25-19-14-9-6-11-16(19)4-2/h7-8,12-13,16,19H,3-6,9-11,14-15H2,1-2H3
InChIKey NNJSFMGMOVOPIZ-UHFFFAOYSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EXacGOJfA5h
Name Phthalic acid, 2-ethylcyclohexyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 346.214409442 u
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-3-5-10-15-24-20(22)17-12-7-8-13-18(17)21(23)25-19-14-9-6-11-16(19)4-2/h7-8,12-13,16,19H,3-6,9-11,14-15H2,1-2H3
InChIKey NNJSFMGMOVOPIZ-UHFFFAOYSA-N
Molecular Weight 346.467 g/mol
SMILES C(C1=C(C=CC=C1)C(OC1CCCCC1CC)=O)(OCCCCC)=O