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Phthalic acid, 2-chloropropyl nonyl ester
SpectraBase Compound ID LFUU036JQ9E
InChI InChI=1S/C20H29ClO4/c1-3-4-5-6-7-8-11-14-24-19(22)17-12-9-10-13-18(17)20(23)25-15-16(2)21/h9-10,12-13,16H,3-8,11,14-15H2,1-2H3
InChIKey QZDKKXRGUAWHLU-UHFFFAOYSA-N
Mol Weight 368.9 g/mol
Molecular Formula C20H29ClO4
Exact Mass 368.175437 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HlYnxZQgNek
Name Phthalic acid, 2-chloropropyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 368.175437110 u
Formula C20H29ClO4
InChI InChI=1S/C20H29ClO4/c1-3-4-5-6-7-8-11-14-24-19(22)17-12-9-10-13-18(17)20(23)25-15-16(2)21/h9-10,12-13,16H,3-8,11,14-15H2,1-2H3
InChIKey QZDKKXRGUAWHLU-UHFFFAOYSA-N
Molecular Weight 368.901 g/mol
SMILES C1=C(C(=CC=C1)C(=O)OCC(C)Cl)C(OCCCCCCCCC)=O