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4-[6-Amino-5-cyano-3-(3-pyridinyl)-2,4-dihydropyrano[2,3-C]pyrazol-4-yl]benzoic acid methyl ester
SpectraBase Compound ID Hw57ba8wcMf
InChI InChI=1S/C20H15N5O3/c1-27-20(26)12-6-4-11(5-7-12)15-14(9-21)18(22)28-19-16(15)17(24-25-19)13-3-2-8-23-10-13/h2-8,10,15H,22H2,1H3,(H,24,25)
InChIKey SVWXYVBFFHODKW-UHFFFAOYSA-N
Mol Weight 373.37 g/mol
Molecular Formula C20H15N5O3
Exact Mass 373.117489 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 20wqr7peEXw
Name 4-[6-Amino-5-cyano-3-(3-pyridinyl)-2,4-dihydropyrano[2,3-C]pyrazol-4-yl]benzoic acid methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 373.117489360 u
Formula C20H15N5O3
InChI InChI=1S/C20H15N5O3/c1-27-20(26)12-6-4-11(5-7-12)15-14(9-21)18(22)28-19-16(15)17(24-25-19)13-3-2-8-23-10-13/h2-8,10,15H,22H2,1H3,(H,24,25)
InChIKey SVWXYVBFFHODKW-UHFFFAOYSA-N
Molecular Weight 373.372 g/mol
SMILES C12=C(OC(=C(C2C2=CC=C(C(=O)OC)C=C2)C#N)N)NN=C1C=1C=NC=CC1