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ethyl 4-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]benzoyl}amino)benzoate

View entire compound with spectra: 2 NMR

ethyl 4-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]benzoyl}amino)benzoate
SpectraBase Compound ID FhuDHlDkM7n
InChI InChI=1S/C20H18ClN3O3/c1-2-27-20(26)16-7-9-18(10-8-16)23-19(25)15-5-3-14(4-6-15)12-24-13-17(21)11-22-24/h3-11,13H,2,12H2,1H3,(H,23,25)
InChIKey AIZDFYPKTKEPFC-UHFFFAOYSA-N
Mol Weight 383.84 g/mol
Molecular Formula C20H18ClN3O3
Exact Mass 383.103669 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1BvOPuB99HB
Name Ethyl 4-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]benzoyl}amino)benzoate
Comments Computed using HOSE algorithm
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Exact Mass 383.103669149 u
Formula C20H18ClN3O3
InChI InChI=1S/C20H18ClN3O3/c1-2-27-20(26)16-7-9-18(10-8-16)23-19(25)15-5-3-14(4-6-15)12-24-13-17(21)11-22-24/h3-11,13H,2,12H2,1H3,(H,23,25)
InChIKey AIZDFYPKTKEPFC-UHFFFAOYSA-N
Molecular Weight 383.835 g/mol
SMILES N(C1=CC=C(C(=O)OCC)C=C1)C(C=1C=CC(CN2N=CC(=C2)Cl)=CC1)=O