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Phthalic acid, 8-chlorooctyl heptyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 8-chlorooctyl heptyl ester
SpectraBase Compound ID JHbeVgS8Br3
InChI InChI=1S/C23H35ClO4/c1-2-3-4-8-13-18-27-22(25)20-15-10-11-16-21(20)23(26)28-19-14-9-6-5-7-12-17-24/h10-11,15-16H,2-9,12-14,17-19H2,1H3
InChIKey UASOHBRAHBJMQY-UHFFFAOYSA-N
Mol Weight 411.0 g/mol
Molecular Formula C23H35ClO4
Exact Mass 410.222387 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JKC4kZMObsQ
Name Phthalic acid, 8-chlorooctyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 410.222387303 u
Formula C23H35ClO4
InChI InChI=1S/C23H35ClO4/c1-2-3-4-8-13-18-27-22(25)20-15-10-11-16-21(20)23(26)28-19-14-9-6-5-7-12-17-24/h10-11,15-16H,2-9,12-14,17-19H2,1H3
InChIKey UASOHBRAHBJMQY-UHFFFAOYSA-N
Molecular Weight 410.982 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCC)=O)C(OCCCCCCCCCl)=O