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SpectraBase Compound ID | HmdXUasAIBB |
---|---|
InChI | InChI=1S/C13H15N3O4/c1-7-5-10(16-8(2)15-7)14-6-9-11(17)19-13(3,4)20-12(9)18/h5-6H,1-4H3,(H,14,15,16) |
InChIKey | LMJZAMAXDIYIGC-UHFFFAOYSA-N |
Mol Weight | 277.28 g/mol |
Molecular Formula | C13H15N3O4 |
Exact Mass | 277.106256 g/mol |
SpectraBase Spectrum ID | 8qexvQuUzYG |
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Name | {[(2,6-Dimethyl-4-pyrimidinyl)amino]methylene}malonic acid, cyclic isopropylidene ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 277.106255971 u |
Formula | C13H15N3O4 |
InChI | InChI=1S/C13H15N3O4/c1-7-5-10(16-8(2)15-7)14-6-9-11(17)19-13(3,4)20-12(9)18/h5-6H,1-4H3,(H,14,15,16) |
InChIKey | LMJZAMAXDIYIGC-UHFFFAOYSA-N |
SMILES | N(C=1N=C(N=C(C1)C)C)C=C1C(OC(OC1=O)(C)C)=O |