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1-Ethyl-3-methyl-4-nitroso-5-pyrazolone;oh-tautomer
SpectraBase Compound ID 9WXPcvo9DVf
InChI InChI=1S/2C6H9N3O2/c2*1-3-9-6(10)5(8-11)4(2)7-9/h2*10H,3H2,1-2H3
InChIKey JBMSMPGODWKVAR-UHFFFAOYSA-N
Mol Weight 310.31 g/mol
Molecular Formula C12H18N6O4
Exact Mass 310.138953 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5xNx0HdMQDY
Name 1-Ethyl-3-methyl-4-nitroso-5-pyrazolone;oh-tautomer
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.138953080 u
Formula C12H18N6O4
InChI InChI=1S/2C6H9N3O2/c2*1-3-9-6(10)5(8-11)4(2)7-9/h2*10H,3H2,1-2H3
InChIKey JBMSMPGODWKVAR-UHFFFAOYSA-N
Molecular Weight 310.314 g/mol
SMILES C1(=NN(C(=C1N=O)O)CC)C.C1(=NN(C(=C1N=O)O)CC)C