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Phthalic acid, 8-chlorooctyl octyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 8-chlorooctyl octyl ester
SpectraBase Compound ID AYIN43cDKUG
InChI InChI=1S/C24H37ClO4/c1-2-3-4-5-9-14-19-28-23(26)21-16-11-12-17-22(21)24(27)29-20-15-10-7-6-8-13-18-25/h11-12,16-17H,2-10,13-15,18-20H2,1H3
InChIKey XQQCPPCRBHNHJX-UHFFFAOYSA-N
Mol Weight 425.0 g/mol
Molecular Formula C24H37ClO4
Exact Mass 424.238037 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8RSy0EBviHv
Name Phthalic acid, 8-chlorooctyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 424.238037367 u
Formula C24H37ClO4
InChI InChI=1S/C24H37ClO4/c1-2-3-4-5-9-14-19-28-23(26)21-16-11-12-17-22(21)24(27)29-20-15-10-7-6-8-13-18-25/h11-12,16-17H,2-10,13-15,18-20H2,1H3
InChIKey XQQCPPCRBHNHJX-UHFFFAOYSA-N
Molecular Weight 425.009 g/mol
SMILES C(C1=CC=CC=C1C(=O)OCCCCCCCCCl)(OCCCCCCCC)=O