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1H-Pyrazole-4-carboxylic acid, 3-[3-[2-(2-chlorophenoxy)ethoxy]phenyl]-5-methyl-, methyl ester
SpectraBase Compound ID JLdUnWJJ5ND
InChI InChI=1S/C20H19ClN2O4/c1-13-18(20(24)25-2)19(23-22-13)14-6-5-7-15(12-14)26-10-11-27-17-9-4-3-8-16(17)21/h3-9,12H,10-11H2,1-2H3,(H,22,23)
InChIKey WZABWMHAIYIKOS-UHFFFAOYSA-N
Mol Weight 386.84 g/mol
Molecular Formula C20H19ClN2O4
Exact Mass 386.103335 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5QZWIGnuX8u
Name 1H-Pyrazole-4-carboxylic acid, 3-[3-[2-(2-chlorophenoxy)ethoxy]phenyl]-5-methyl-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 386.103334796 u
Formula C20H19ClN2O4
InChI InChI=1S/C20H19ClN2O4/c1-13-18(20(24)25-2)19(23-22-13)14-6-5-7-15(12-14)26-10-11-27-17-9-4-3-8-16(17)21/h3-9,12H,10-11H2,1-2H3,(H,22,23)
InChIKey WZABWMHAIYIKOS-UHFFFAOYSA-N
Molecular Weight 386.835 g/mol
SMILES N1C(=C(C(=N1)C=1C=C(C=CC1)OCCOC1=CC=CC=C1Cl)C(OC)=O)C