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1H-Pyrazole-1-butanamide, N-(2-furanylmethyl)-4-nitro-
SpectraBase Compound ID 7R67uTL9B0T
InChI InChI=1S/C12H14N4O4/c17-12(13-8-11-3-2-6-20-11)4-1-5-15-9-10(7-14-15)16(18)19/h2-3,6-7,9H,1,4-5,8H2,(H,13,17)
InChIKey OWRCUKYZQRGRCM-UHFFFAOYSA-N
Mol Weight 278.27 g/mol
Molecular Formula C12H14N4O4
Exact Mass 278.101505 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Eo3M6gm3wIl
Name 1H-Pyrazole-1-butanamide, N-(2-furanylmethyl)-4-nitro-
Comments Computed using HOSE algorithm
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Exact Mass 278.101504943 u
Formula C12H14N4O4
InChI InChI=1S/C12H14N4O4/c17-12(13-8-11-3-2-6-20-11)4-1-5-15-9-10(7-14-15)16(18)19/h2-3,6-7,9H,1,4-5,8H2,(H,13,17)
InChIKey OWRCUKYZQRGRCM-UHFFFAOYSA-N
SMILES C1(N(=O)=O)=CN(CCCC(NCC=2OC=CC2)=O)N=C1