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Phthalic acid, 2-(3-chlorophenyl)ethyl tetradecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-(3-chlorophenyl)ethyl tetradecyl ester
SpectraBase Compound ID 1aHyKUJDeNg
InChI InChI=1S/C30H41ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-15-22-34-29(32)27-19-13-14-20-28(27)30(33)35-23-21-25-17-16-18-26(31)24-25/h13-14,16-20,24H,2-12,15,21-23H2,1H3
InChIKey DAPQZYUCVZACJQ-UHFFFAOYSA-N
Mol Weight 501.1 g/mol
Molecular Formula C30H41ClO4
Exact Mass 500.269337 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BJsFryrAWF9
Name Phthalic acid, 2-(3-chlorophenyl)ethyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 500.269337496 u
Formula C30H41ClO4
InChI InChI=1S/C30H41ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-15-22-34-29(32)27-19-13-14-20-28(27)30(33)35-23-21-25-17-16-18-26(31)24-25/h13-14,16-20,24H,2-12,15,21-23H2,1H3
InChIKey DAPQZYUCVZACJQ-UHFFFAOYSA-N
Molecular Weight 501.107 g/mol
SMILES C(C1=CC=CC=C1C(OCCC1=CC=CC(=C1)Cl)=O)(OCCCCCCCCCCCCCC)=O