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1H-pyrazole-4-propanoic acid, 3,5-dimethyl-, 2-[(E)-(3-chlorophenyl)methylidene]hydrazide
SpectraBase Compound ID 7cGTB0Ut8xg
InChI InChI=1S/C15H17ClN4O/c1-10-14(11(2)19-18-10)6-7-15(21)20-17-9-12-4-3-5-13(16)8-12/h3-5,8-9H,6-7H2,1-2H3,(H,18,19)(H,20,21)/b17-9+
InChIKey RPOIIUHMOXLRJY-RQZCQDPDSA-N
Mol Weight 304.78 g/mol
Molecular Formula C15H17ClN4O
Exact Mass 304.109089 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JGr1PaQzvAG
Name 1H-Pyrazole-4-propanoic acid, 3,5-dimethyl-, 2-[(E)-(3-chlorophenyl)methylidene]hydrazide
Comments Computed using HOSE algorithm
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Exact Mass 304.109088882 u
Formula C15H17ClN4O
InChI InChI=1S/C15H17ClN4O/c1-10-14(11(2)19-18-10)6-7-15(21)20-17-9-12-4-3-5-13(16)8-12/h3-5,8-9H,6-7H2,1-2H3,(H,18,19)(H,20,21)/b17-9+
InChIKey RPOIIUHMOXLRJY-RQZCQDPDSA-N
Molecular Weight 304.781 g/mol
SMILES N1N=C(C(CCC(N\N=C\C=2C=C(Cl)C=CC2)=O)=C1C)C