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2-Chlorobenzoic acid, 3,5-dimethylphenyl ester
SpectraBase Compound ID HqwYmYnI59q
InChI InChI=1S/C15H13ClO2/c1-10-7-11(2)9-12(8-10)18-15(17)13-5-3-4-6-14(13)16/h3-9H,1-2H3
InChIKey HHSLGRLKQCSCBW-UHFFFAOYSA-N
Mol Weight 260.72 g/mol
Molecular Formula C15H13ClO2
Exact Mass 260.060407 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1bGtMlWHU1l
Name 2-Chlorobenzoic acid, 3,5-dimethylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 260.060407357 u
Formula C15H13ClO2
InChI InChI=1S/C15H13ClO2/c1-10-7-11(2)9-12(8-10)18-15(17)13-5-3-4-6-14(13)16/h3-9H,1-2H3
InChIKey HHSLGRLKQCSCBW-UHFFFAOYSA-N
Molecular Weight 260.720 g/mol
SMILES C1=CC=CC(=C1Cl)C(OC1=CC(=CC(C)=C1)C)=O