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6-(Dichloromethyl)-5-salicyloyl-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one
SpectraBase Compound ID 5nUKHR43RPA
InChI InChI=1S/C20H13Cl2N3O3/c21-18(22)16-13(17(27)12-8-4-5-9-15(12)26)10-14-19(23-16)24-25(20(14)28)11-6-2-1-3-7-11/h1-10,18,26H,(H,23,24)
InChIKey XSYGGGOMEQPXSG-UHFFFAOYSA-N
Mol Weight 414.25 g/mol
Molecular Formula C20H13Cl2N3O3
Exact Mass 413.033397 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6uebO0X26o0
Name 6-(Dichloromethyl)-5-salicyloyl-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H13Cl2N3O3
InChI InChI=1S/C20H13Cl2N3O3/c21-18(22)16-13(17(27)12-8-4-5-9-15(12)26)10-14-19(23-16)24-25(20(14)28)11-6-2-1-3-7-11/h1-10,18,26H,(H,23,24)
InChIKey XSYGGGOMEQPXSG-UHFFFAOYSA-N
Molecular Weight 414.248 g/mol
SMILES Oc1c(C(c2c(nc3NN(C(c3c2)=O)c2ccccc2)C(Cl)Cl)=O)cccc1
SPLASH splash10-03fr-9000000000-ec9be344bae2620793ee
Source of Spectrum F4-43-474-24a
Wiley ID 1675175