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3-(2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)amino-4-carbethoxy-pyrazole

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3-(2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)amino-4-carbethoxy-pyrazole
SpectraBase Compound ID 158qpHnoa0S
InChI InChI=1S/C13H15N3O6/c1-4-20-10(17)7-6-15-16-9(7)14-5-8-11(18)21-13(2,3)22-12(8)19/h5-6H,4H2,1-3H3,(H2,14,15,16)
InChIKey LPGIZDUKFIVWEG-UHFFFAOYSA-N
Mol Weight 309.28 g/mol
Molecular Formula C13H15N3O6
Exact Mass 309.096085 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4mGlhOA81xo
Name 3-(2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)amino-4-carbethoxy-pyrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 309.096085209 u
Formula C13H15N3O6
InChI InChI=1S/C13H15N3O6/c1-4-20-10(17)7-6-15-16-9(7)14-5-8-11(18)21-13(2,3)22-12(8)19/h5-6H,4H2,1-3H3,(H2,14,15,16)
InChIKey LPGIZDUKFIVWEG-UHFFFAOYSA-N
Molecular Weight 309.278 g/mol
SMILES C(NC=1C(=CNN1)C(OCC)=O)=C1C(OC(OC1=O)(C)C)=O