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5-Methyl-3-(4-nitro-1,8-naphthalimido)-1H-pyrazole

View entire compound with spectra: 1 NMR, and 2 MS (GC)

5-Methyl-3-(4-nitro-1,8-naphthalimido)-1H-pyrazole
SpectraBase Compound ID ENqCoXnPGdB
InChI InChI=1S/C16H10N4O4/c1-8-7-13(18-17-8)19-15(21)10-4-2-3-9-12(20(23)24)6-5-11(14(9)10)16(19)22/h2-7H,1H3,(H,17,18)
InChIKey JBFWWECZUQOQMO-UHFFFAOYSA-N
Mol Weight 322.28 g/mol
Molecular Formula C16H10N4O4
Exact Mass 322.070205 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1GUUp2PWo4F
Name 5-Methyl-3-(4-nitro-1,8-naphthalimido)-1H-pyrazole
Comments Computed using HOSE algorithm
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Exact Mass 322.070204814 u
Formula C16H10N4O4
InChI InChI=1S/C16H10N4O4/c1-8-7-13(18-17-8)19-15(21)10-4-2-3-9-12(20(23)24)6-5-11(14(9)10)16(19)22/h2-7H,1H3,(H,17,18)
InChIKey JBFWWECZUQOQMO-UHFFFAOYSA-N
Molecular Weight 322.280 g/mol
SMILES C12=C3C=CC(=C2C=CC=C1C(=O)N(C3=O)C1=NNC(=C1)C)N(=O)=O