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Phthalic acid, 2-(4-chlorophenoxy)ethyl dodecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-(4-chlorophenoxy)ethyl dodecyl ester
SpectraBase Compound ID 6RuOBYuWnuY
InChI InChI=1S/C28H37ClO5/c1-2-3-4-5-6-7-8-9-10-15-20-33-27(30)23-16-11-12-17-24(23)28(31)34-22-21-32-26-19-14-13-18-25(26)29/h11-14,16-19H,2-10,15,20-22H2,1H3
InChIKey DRSYKUNOMKGZLP-UHFFFAOYSA-N
Mol Weight 489.1 g/mol
Molecular Formula C28H37ClO5
Exact Mass 488.232952 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ay8Uwwy8nOy
Name Phthalic acid, 2-(4-chlorophenoxy)ethyl dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 488.232951986 u
Formula C28H37ClO5
InChI InChI=1S/C28H37ClO5/c1-2-3-4-5-6-7-8-9-10-15-20-33-27(30)23-16-11-12-17-24(23)28(31)34-22-21-32-26-19-14-13-18-25(26)29/h11-14,16-19H,2-10,15,20-22H2,1H3
InChIKey DRSYKUNOMKGZLP-UHFFFAOYSA-N
Molecular Weight 489.052 g/mol
SMILES C(C1=CC=CC=C1C(OCCOC1=CC=CC=C1Cl)=O)(OCCCCCCCCCCCC)=O