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benzeneacetic acid, 4-chloro-, 2-[(E)-3-[(4-fluorophenyl)amino]-1-methyl-3-oxopropylidene]hydrazide
SpectraBase Compound ID IEjf8PTBu12
InChI InChI=1S/C18H17ClFN3O2/c1-12(10-17(24)21-16-8-6-15(20)7-9-16)22-23-18(25)11-13-2-4-14(19)5-3-13/h2-9H,10-11H2,1H3,(H,21,24)(H,23,25)/b22-12+
InChIKey CBPRYTRCHPSWHM-WSDLNYQXSA-N
Mol Weight 361.8 g/mol
Molecular Formula C18H17ClFN3O2
Exact Mass 361.099333 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LBCeoqC217p
Name Benzeneacetic acid, 4-chloro-, 2-[(E)-3-[(4-fluorophenyl)amino]-1-methyl-3-oxopropylidene]hydrazide
Comments Computed using HOSE algorithm
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Exact Mass 361.099332660 u
Formula C18H17ClFN3O2
InChI InChI=1S/C18H17ClFN3O2/c1-12(10-17(24)21-16-8-6-15(20)7-9-16)22-23-18(25)11-13-2-4-14(19)5-3-13/h2-9H,10-11H2,1H3,(H,21,24)(H,23,25)/b22-12+
InChIKey CBPRYTRCHPSWHM-WSDLNYQXSA-N
Molecular Weight 361.804 g/mol
SMILES N(C(=O)CC1=CC=C(C=C1)Cl)\N=C\(CC(NC1=CC=C(C=C1)F)=O)C