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Methyl 5-[(2-chlorobenzoyl)oxy]-1-phenyl-1H-pyrazole-3-carboxylate
SpectraBase Compound ID 4gLKNGhDXQj
InChI InChI=1S/C18H13ClN2O4/c1-24-18(23)15-11-16(21(20-15)12-7-3-2-4-8-12)25-17(22)13-9-5-6-10-14(13)19/h2-11H,1H3
InChIKey UCFOCRVPGYTJCU-UHFFFAOYSA-N
Mol Weight 356.77 g/mol
Molecular Formula C18H13ClN2O4
Exact Mass 356.056385 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6n3VwnGbZ45
Name Methyl 5-[(2-chlorobenzoyl)oxy]-1-phenyl-1H-pyrazole-3-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 356.056384603 u
Formula C18H13ClN2O4
InChI InChI=1S/C18H13ClN2O4/c1-24-18(23)15-11-16(21(20-15)12-7-3-2-4-8-12)25-17(22)13-9-5-6-10-14(13)19/h2-11H,1H3
InChIKey UCFOCRVPGYTJCU-UHFFFAOYSA-N
Molecular Weight 356.765 g/mol
SMILES C=1(N(N=C(C1)C(=O)OC)C1=CC=CC=C1)OC(C=1C(Cl)=CC=CC1)=O