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Phthalic acid, 8-chlorooctyl ethyl ester
SpectraBase Compound ID ESMdU0KI6QI
InChI InChI=1S/C18H25ClO4/c1-2-22-17(20)15-11-7-8-12-16(15)18(21)23-14-10-6-4-3-5-9-13-19/h7-8,11-12H,2-6,9-10,13-14H2,1H3
InChIKey IIUACYQXPILQBL-UHFFFAOYSA-N
Mol Weight 340.85 g/mol
Molecular Formula C18H25ClO4
Exact Mass 340.144137 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GGIpky1bphq
Name Phthalic acid, 8-chlorooctyl ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 340.144136981 u
Formula C18H25ClO4
InChI InChI=1S/C18H25ClO4/c1-2-22-17(20)15-11-7-8-12-16(15)18(21)23-14-10-6-4-3-5-9-13-19/h7-8,11-12H,2-6,9-10,13-14H2,1H3
InChIKey IIUACYQXPILQBL-UHFFFAOYSA-N
Molecular Weight 340.847 g/mol
SMILES C1=CC=CC(=C1C(OCC)=O)C(OCCCCCCCCCl)=O