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Phthalic acid, 2-cyclohexylethyl dodecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-cyclohexylethyl dodecyl ester
SpectraBase Compound ID KGUgXAtlM3m
InChI InChI=1S/C28H44O4/c1-2-3-4-5-6-7-8-9-10-16-22-31-27(29)25-19-14-15-20-26(25)28(30)32-23-21-24-17-12-11-13-18-24/h14-15,19-20,24H,2-13,16-18,21-23H2,1H3
InChIKey HBKUMRASSFHRKR-UHFFFAOYSA-N
Mol Weight 444.7 g/mol
Molecular Formula C28H44O4
Exact Mass 444.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hwt4x5bwDcN
Name Phthalic acid, 2-cyclohexylethyl dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 444.323959893 u
Formula C28H44O4
InChI InChI=1S/C28H44O4/c1-2-3-4-5-6-7-8-9-10-16-22-31-27(29)25-19-14-15-20-26(25)28(30)32-23-21-24-17-12-11-13-18-24/h14-15,19-20,24H,2-13,16-18,21-23H2,1H3
InChIKey HBKUMRASSFHRKR-UHFFFAOYSA-N
Molecular Weight 444.656 g/mol
SMILES C(COC(=O)C1=CC=CC=C1C(OCCCCCCCCCCCC)=O)C1CCCCC1