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Phthalic acid, 8-chlorooctyl nonyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 8-chlorooctyl nonyl ester
SpectraBase Compound ID LTcYQOxYAv3
InChI InChI=1S/C25H39ClO4/c1-2-3-4-5-7-10-15-20-29-24(27)22-17-12-13-18-23(22)25(28)30-21-16-11-8-6-9-14-19-26/h12-13,17-18H,2-11,14-16,19-21H2,1H3
InChIKey VLGGPAXIJIXDSR-UHFFFAOYSA-N
Mol Weight 439.0 g/mol
Molecular Formula C25H39ClO4
Exact Mass 438.253687 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Im4x3f87qRh
Name Phthalic acid, 8-chlorooctyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 438.253687432 u
Formula C25H39ClO4
InChI InChI=1S/C25H39ClO4/c1-2-3-4-5-7-10-15-20-29-24(27)22-17-12-13-18-23(22)25(28)30-21-16-11-8-6-9-14-19-26/h12-13,17-18H,2-11,14-16,19-21H2,1H3
InChIKey VLGGPAXIJIXDSR-UHFFFAOYSA-N
Molecular Weight 439.036 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCC)=O)C(OCCCCCCCCCl)=O