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Phthalic acid, 2-cyclohexylethyl 2-ethylhexyl ester

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Phthalic acid, 2-cyclohexylethyl 2-ethylhexyl ester
SpectraBase Compound ID DF32Oq3BYMZ
InChI InChI=1S/C24H36O4/c1-3-5-11-19(4-2)18-28-24(26)22-15-10-9-14-21(22)23(25)27-17-16-20-12-7-6-8-13-20/h9-10,14-15,19-20H,3-8,11-13,16-18H2,1-2H3
InChIKey XRMAOQFWJGRCOF-UHFFFAOYSA-N
Mol Weight 388.5 g/mol
Molecular Formula C24H36O4
Exact Mass 388.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5950hdi3Cm0
Name Phthalic acid, 2-cyclohexylethyl 2-ethylhexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 388.261359635 u
Formula C24H36O4
InChI InChI=1S/C24H36O4/c1-3-5-11-19(4-2)18-28-24(26)22-15-10-9-14-21(22)23(25)27-17-16-20-12-7-6-8-13-20/h9-10,14-15,19-20H,3-8,11-13,16-18H2,1-2H3
InChIKey XRMAOQFWJGRCOF-UHFFFAOYSA-N
Molecular Weight 388.548 g/mol
SMILES C1=C(C(=CC=C1)C(=O)OCC(CC)CCCC)C(=O)OCCC1CCCCC1