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3-(3,5-dimethyl-1H-pyrazol-4-yl)-N'-[(3Z)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]propanohydrazide
SpectraBase Compound ID DxQbfemWKC9
InChI InChI=1S/C16H17N5O2/c1-9-11(10(2)19-18-9)7-8-14(22)20-21-15-12-5-3-4-6-13(12)17-16(15)23/h3-6H,7-8H2,1-2H3,(H,18,19)(H,20,22)(H,17,21,23)
InChIKey CINXIIPLKONGLN-UHFFFAOYSA-N
Mol Weight 311.34 g/mol
Molecular Formula C16H17N5O2
Exact Mass 311.138225 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 33Ep7MKMhug
Name 3-(3,5-Dimethyl-1H-pyrazol-4-yl)-N'-[(3Z)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]propanohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.138224805 u
Formula C16H17N5O2
InChI InChI=1S/C16H17N5O2/c1-9-11(10(2)19-18-9)7-8-14(22)20-21-15-12-5-3-4-6-13(12)17-16(15)23/h3-6H,7-8H2,1-2H3,(H,18,19)(H,20,22)(H,17,21,23)
InChIKey CINXIIPLKONGLN-UHFFFAOYSA-N
Molecular Weight 311.345 g/mol
SMILES N1C2=C(\C(=N\NC(CCC3=C(NN=C3C)C)=O)C1=O)C=CC=C2