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Phthalic acid, 3-chlorophenyl heptyl ester

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Phthalic acid, 3-chlorophenyl heptyl ester
SpectraBase Compound ID 9vv2M720GI
InChI InChI=1S/C21H23ClO4/c1-2-3-4-5-8-14-25-20(23)18-12-6-7-13-19(18)21(24)26-17-11-9-10-16(22)15-17/h6-7,9-13,15H,2-5,8,14H2,1H3
InChIKey LSZNUASLUATARE-UHFFFAOYSA-N
Mol Weight 374.86 g/mol
Molecular Formula C21H23ClO4
Exact Mass 374.128487 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID COPlNfQ2m2T
Name Phthalic acid, 3-chlorophenyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 374.128486917 u
Formula C21H23ClO4
InChI InChI=1S/C21H23ClO4/c1-2-3-4-5-8-14-25-20(23)18-12-6-7-13-19(18)21(24)26-17-11-9-10-16(22)15-17/h6-7,9-13,15H,2-5,8,14H2,1H3
InChIKey LSZNUASLUATARE-UHFFFAOYSA-N
Molecular Weight 374.864 g/mol
SMILES C1(=CC=CC(=C1)Cl)OC(C1=C(C=CC=C1)C(=O)OCCCCCCC)=O