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2-Chlorobenzoic acid, 2-isopropoxyphenyl ester
SpectraBase Compound ID BsvTqj80TLj
InChI InChI=1S/C16H15ClO3/c1-11(2)19-14-9-5-6-10-15(14)20-16(18)12-7-3-4-8-13(12)17/h3-11H,1-2H3
InChIKey ILSLSUSKHGLVAG-UHFFFAOYSA-N
Mol Weight 290.75 g/mol
Molecular Formula C16H15ClO3
Exact Mass 290.070972 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GcVs5tIywd5
Name 2-Chlorobenzoic acid, 2-isopropoxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 290.070972040 u
Formula C16H15ClO3
InChI InChI=1S/C16H15ClO3/c1-11(2)19-14-9-5-6-10-15(14)20-16(18)12-7-3-4-8-13(12)17/h3-11H,1-2H3
InChIKey ILSLSUSKHGLVAG-UHFFFAOYSA-N
SMILES C1=C(C(C(=O)OC2=C(C=CC=C2)OC(C)C)=CC=C1)Cl