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Phthalic acid, 2-ethylcyclohexyl isohexyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-ethylcyclohexyl isohexyl ester
SpectraBase Compound ID JfLUs1M49TG
InChI InChI=1S/C22H32O4/c1-4-17-11-5-8-14-20(17)26-22(24)19-13-7-6-12-18(19)21(23)25-15-9-10-16(2)3/h6-7,12-13,16-17,20H,4-5,8-11,14-15H2,1-3H3
InChIKey ORORXRHKDVRCNB-UHFFFAOYSA-N
Mol Weight 360.5 g/mol
Molecular Formula C22H32O4
Exact Mass 360.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JvK9ArRKYoD
Name Phthalic acid, 2-ethylcyclohexyl isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 360.230059506 u
Formula C22H32O4
InChI InChI=1S/C22H32O4/c1-4-17-11-5-8-14-20(17)26-22(24)19-13-7-6-12-18(19)21(23)25-15-9-10-16(2)3/h6-7,12-13,16-17,20H,4-5,8-11,14-15H2,1-3H3
InChIKey ORORXRHKDVRCNB-UHFFFAOYSA-N
Molecular Weight 360.494 g/mol
SMILES C(C1=C(C=CC=C1)C(OC1C(CCCC1)CC)=O)(OCCCC(C)C)=O