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N-(4-sec-butylphenyl)-5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furamide
SpectraBase Compound ID A8MU5FGJGfM
InChI InChI=1S/C19H20ClN3O2/c1-3-13(2)14-4-6-16(7-5-14)22-19(24)18-9-8-17(25-18)12-23-11-15(20)10-21-23/h4-11,13H,3,12H2,1-2H3,(H,22,24)
InChIKey NUSJOVIOPBNKIT-UHFFFAOYSA-N
Mol Weight 357.84 g/mol
Molecular Formula C19H20ClN3O2
Exact Mass 357.124405 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CTerrhhOsGi
Name N-(4-sec-Butylphenyl)-5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furamide
Comments Computed using HOSE algorithm
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Exact Mass 357.124404594 u
Formula C19H20ClN3O2
InChI InChI=1S/C19H20ClN3O2/c1-3-13(2)14-4-6-16(7-5-14)22-19(24)18-9-8-17(25-18)12-23-11-15(20)10-21-23/h4-11,13H,3,12H2,1-2H3,(H,22,24)
InChIKey NUSJOVIOPBNKIT-UHFFFAOYSA-N
Molecular Weight 357.841 g/mol
SMILES N(C=1C=CC(=CC1)C(CC)C)C(C=1OC(CN2N=CC(=C2)Cl)=CC1)=O