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Phthalic acid, 3-chlorobenzyl pentadecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3-chlorobenzyl pentadecyl ester
SpectraBase Compound ID J5xxFOCAegs
InChI InChI=1S/C30H41ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-34-29(32)27-20-14-15-21-28(27)30(33)35-24-25-18-17-19-26(31)23-25/h14-15,17-21,23H,2-13,16,22,24H2,1H3
InChIKey OPKYLPVOTWTVFU-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 8BU86uOYC44
Name Phthalic acid, 3-chlorobenzyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 500.269337496 u
Formula C30H41ClO4
InChI InChI=1S/C30H41ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-34-29(32)27-20-14-15-21-28(27)30(33)35-24-25-18-17-19-26(31)23-25/h14-15,17-21,23H,2-13,16,22,24H2,1H3
InChIKey OPKYLPVOTWTVFU-UHFFFAOYSA-N
Molecular Weight 501.107 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCCCCCCCC)=O)C(OCC1=CC(=CC=C1)Cl)=O