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Phthalic acid, 2-ethylcyclohexyl hexyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-ethylcyclohexyl hexyl ester
SpectraBase Compound ID EZT9nfUeWM3
InChI InChI=1S/C22H32O4/c1-3-5-6-11-16-25-21(23)18-13-8-9-14-19(18)22(24)26-20-15-10-7-12-17(20)4-2/h8-9,13-14,17,20H,3-7,10-12,15-16H2,1-2H3
InChIKey CJGMDTWKLJGPHS-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 7tB9eWYzMfX
Name Phthalic acid, 2-ethylcyclohexyl hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 360.230059506 u
Formula C22H32O4
InChI InChI=1S/C22H32O4/c1-3-5-6-11-16-25-21(23)18-13-8-9-14-19(18)22(24)26-20-15-10-7-12-17(20)4-2/h8-9,13-14,17,20H,3-7,10-12,15-16H2,1-2H3
InChIKey CJGMDTWKLJGPHS-UHFFFAOYSA-N
Molecular Weight 360.494 g/mol
SMILES C(OC1C(CCCC1)CC)(=O)C1=C(C=CC=C1)C(OCCCCCC)=O