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1-(p-chlorobenzyl)-1H-indazole-3-carboxylic acid, 2-hydroxyethyl ester
SpectraBase Compound ID 2YFl7C67TBA
InChI InChI=1S/C17H15ClN2O3/c18-13-7-5-12(6-8-13)11-20-15-4-2-1-3-14(15)16(19-20)17(22)23-10-9-21/h1-8,21H,9-11H2
InChIKey VBOWGMJJERUXBC-UHFFFAOYSA-N
Mol Weight 330.77 g/mol
Molecular Formula C17H15ClN2O3
Exact Mass 330.07712 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KsXIBlZyHfh
Name 1-(p-Chlorobenzyl)-1H-indazole-3-carboxylic acid, 2-hydroxyethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 330.077120048 u
Formula C17H15ClN2O3
InChI InChI=1S/C17H15ClN2O3/c18-13-7-5-12(6-8-13)11-20-15-4-2-1-3-14(15)16(19-20)17(22)23-10-9-21/h1-8,21H,9-11H2
InChIKey VBOWGMJJERUXBC-UHFFFAOYSA-N
Molecular Weight 330.771 g/mol
SMILES OCCOC(C1=NN(C=2C=CC=CC12)CC=1C=CC(=CC1)Cl)=O