SpectraBase Compound ID | 9WXPcvo9DVf |
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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 |
SpectraBase Spectrum ID | 5xNx0HdMQDY |
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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 |