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1H-Pyrazole-1-butanamide, N-(2,5-dimethoxyphenyl)-4-nitro-
SpectraBase Compound ID 1eKAiRd3m5e
InChI InChI=1S/C15H18N4O5/c1-23-12-5-6-14(24-2)13(8-12)17-15(20)4-3-7-18-10-11(9-16-18)19(21)22/h5-6,8-10H,3-4,7H2,1-2H3,(H,17,20)
InChIKey QJIXROFZXHMTAW-UHFFFAOYSA-N
Mol Weight 334.33 g/mol
Molecular Formula C15H18N4O5
Exact Mass 334.12772 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6ZUDYKMN6ba
Name 1H-Pyrazole-1-butanamide, N-(2,5-dimethoxyphenyl)-4-nitro-
Comments Computed using HOSE algorithm
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Exact Mass 334.127719691 u
Formula C15H18N4O5
InChI InChI=1S/C15H18N4O5/c1-23-12-5-6-14(24-2)13(8-12)17-15(20)4-3-7-18-10-11(9-16-18)19(21)22/h5-6,8-10H,3-4,7H2,1-2H3,(H,17,20)
InChIKey QJIXROFZXHMTAW-UHFFFAOYSA-N
Molecular Weight 334.332 g/mol
SMILES C1(N(=O)=O)=CN(CCCC(=O)NC2=CC(OC)=CC=C2OC)N=C1