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Phthalic acid, 2,5-dichlorophenyl tetradecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2,5-dichlorophenyl tetradecyl ester
SpectraBase Compound ID J8tMBtVwok3
InChI InChI=1S/C28H36Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-20-33-27(31)23-16-13-14-17-24(23)28(32)34-26-21-22(29)18-19-25(26)30/h13-14,16-19,21H,2-12,15,20H2,1H3
InChIKey ABOAYDKTNVCLPZ-UHFFFAOYSA-N
Mol Weight 507.5 g/mol
Molecular Formula C28H36Cl2O4
Exact Mass 506.199065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7YXRN9NCMSl
Name Phthalic acid, 2,5-dichlorophenyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 506.199065035 u
Formula C28H36Cl2O4
InChI InChI=1S/C28H36Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-20-33-27(31)23-16-13-14-17-24(23)28(32)34-26-21-22(29)18-19-25(26)30/h13-14,16-19,21H,2-12,15,20H2,1H3
InChIKey ABOAYDKTNVCLPZ-UHFFFAOYSA-N
Molecular Weight 507.498 g/mol
SMILES C1(=CC=CC=C1C(OC1=C(C=CC(=C1)Cl)Cl)=O)C(OCCCCCCCCCCCCCC)=O