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3,5-Dinitro-benzoic acid benzo[1,3]dioxol-5-ylmethylene-hydrazide
SpectraBase Compound ID B4Rk8zyZR3J
InChI InChI=1S/C15H10N4O7/c20-15(10-4-11(18(21)22)6-12(5-10)19(23)24)17-16-7-9-1-2-13-14(3-9)26-8-25-13/h1-7H,8H2,(H,17,20)/b16-7+
InChIKey QREOLHMOASQEKU-FRKPEAEDSA-N
Mol Weight 358.27 g/mol
Molecular Formula C15H10N4O7
Exact Mass 358.054949 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID kkrEy4P3eY
Name 3,5-Dinitro-benzoic acid benzo[1,3]dioxol-5-ylmethylene-hydrazide
Comments Computed using HOSE algorithm
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Exact Mass 358.054948671 u
Formula C15H10N4O7
InChI InChI=1S/C15H10N4O7/c20-15(10-4-11(18(21)22)6-12(5-10)19(23)24)17-16-7-9-1-2-13-14(3-9)26-8-25-13/h1-7H,8H2,(H,17,20)/b16-7+
InChIKey QREOLHMOASQEKU-FRKPEAEDSA-N
Molecular Weight 358.266 g/mol
SMILES C1=C2C(=CC=C1\C=N\NC(C1=CC(=CC(=C1)N(=O)=O)N(=O)=O)=O)OCO2