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Pyrano[2,3-C]pyrazole-5-carbonitrile, 6-amino-4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-2,4-dihydro-3-methyl-
SpectraBase Compound ID 2MUwWfXdOHH
InChI InChI=1S/C17H16N4O5/c1-7-11-12(9(5-18)16(19)26-17(11)21-20-7)8-4-10(22-2)14-15(13(8)23-3)25-6-24-14/h4,12H,6,19H2,1-3H3,(H,20,21)
InChIKey NDWRACJYBKHJRX-UHFFFAOYSA-N
Mol Weight 356.34 g/mol
Molecular Formula C17H16N4O5
Exact Mass 356.11207 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AB4VD6M8R3Z
Name Pyrano[2,3-C]pyrazole-5-carbonitrile, 6-amino-4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-2,4-dihydro-3-methyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.112069626 u
Formula C17H16N4O5
InChI InChI=1S/C17H16N4O5/c1-7-11-12(9(5-18)16(19)26-17(11)21-20-7)8-4-10(22-2)14-15(13(8)23-3)25-6-24-14/h4,12H,6,19H2,1-3H3,(H,20,21)
InChIKey NDWRACJYBKHJRX-UHFFFAOYSA-N
SMILES N1N=C2C(C(C(=C(O2)N)C#N)C=2C=C(C3=C(C2OC)OCO3)OC)=C1C