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Phthalic acid, 2-cyclohexylethyl undecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-cyclohexylethyl undecyl ester
SpectraBase Compound ID 6aK6g3ZDEAE
InChI InChI=1S/C27H42O4/c1-2-3-4-5-6-7-8-9-15-21-30-26(28)24-18-13-14-19-25(24)27(29)31-22-20-23-16-11-10-12-17-23/h13-14,18-19,23H,2-12,15-17,20-22H2,1H3
InChIKey NCXIJEXZIZKLEK-UHFFFAOYSA-N
Mol Weight 430.6 g/mol
Molecular Formula C27H42O4
Exact Mass 430.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4YfYyQw0wWN
Name Phthalic acid, 2-cyclohexylethyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 430.308309828 u
Formula C27H42O4
InChI InChI=1S/C27H42O4/c1-2-3-4-5-6-7-8-9-15-21-30-26(28)24-18-13-14-19-25(24)27(29)31-22-20-23-16-11-10-12-17-23/h13-14,18-19,23H,2-12,15-17,20-22H2,1H3
InChIKey NCXIJEXZIZKLEK-UHFFFAOYSA-N
Molecular Weight 430.629 g/mol
SMILES C(OCCC1CCCCC1)(=O)C1=CC=CC=C1C(OCCCCCCCCCCC)=O