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Pyrano[2,3-C]pyrazole-5-carbonitrile, 6-amino-3-(1,3-benzodioxol-5-yl)-1,4-dihydro-4-(4-hydroxyphenyl)-
SpectraBase Compound ID 7ABDaYnohVf
InChI InChI=1S/C20H14N4O4/c21-8-13-16(10-1-4-12(25)5-2-10)17-18(23-24-20(17)28-19(13)22)11-3-6-14-15(7-11)27-9-26-14/h1-7,16,25H,9,22H2,(H,23,24)
InChIKey QDIYNLUMYXOLLL-UHFFFAOYSA-N
Mol Weight 374.36 g/mol
Molecular Formula C20H14N4O4
Exact Mass 374.101505 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DIxS1oKioI8
Name Pyrano[2,3-C]pyrazole-5-carbonitrile, 6-amino-3-(1,3-benzodioxol-5-yl)-1,4-dihydro-4-(4-hydroxyphenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.101504943 u
Formula C20H14N4O4
InChI InChI=1S/C20H14N4O4/c21-8-13-16(10-1-4-12(25)5-2-10)17-18(23-24-20(17)28-19(13)22)11-3-6-14-15(7-11)27-9-26-14/h1-7,16,25H,9,22H2,(H,23,24)
InChIKey QDIYNLUMYXOLLL-UHFFFAOYSA-N
Molecular Weight 374.356 g/mol
SMILES OC1=CC=C(C2C3=C(OC(=C2C#N)N)NN=C3C2=CC=3OCOC3C=C2)C=C1