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methyl 2-({5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)benzoate

View entire compound with spectra: 2 NMR

methyl 2-({5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)benzoate
SpectraBase Compound ID KpTmCh3CePb
InChI InChI=1S/C17H14ClN3O4/c1-24-17(23)13-4-2-3-5-14(13)20-16(22)15-7-6-12(25-15)10-21-9-11(18)8-19-21/h2-9H,10H2,1H3,(H,20,22)
InChIKey FECNTIVLPGTOJD-UHFFFAOYSA-N
Mol Weight 359.77 g/mol
Molecular Formula C17H14ClN3O4
Exact Mass 359.067284 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JaXh49Q1ao6
Name Methyl 2-({5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)benzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 359.067283639 u
Formula C17H14ClN3O4
InChI InChI=1S/C17H14ClN3O4/c1-24-17(23)13-4-2-3-5-14(13)20-16(22)15-7-6-12(25-15)10-21-9-11(18)8-19-21/h2-9H,10H2,1H3,(H,20,22)
InChIKey FECNTIVLPGTOJD-UHFFFAOYSA-N
Molecular Weight 359.769 g/mol
SMILES N(C=1C(C(=O)OC)=CC=CC1)C(C=1OC(CN2N=CC(=C2)Cl)=CC1)=O