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4-Chloro-3-(p-fluorophenyl)-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidine
SpectraBase Compound ID 9mRcJKT1uQf
InChI InChI=1S/C12H8ClFN4S/c1-19-12-15-10(13)8-9(17-18-11(8)16-12)6-2-4-7(14)5-3-6/h2-5H,1H3,(H,15,16,17,18)
InChIKey SQDMLNVNMGWECH-UHFFFAOYSA-N
Mol Weight 294.74 g/mol
Molecular Formula C12H8ClFN4S
Exact Mass 294.014223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KJD6dT6iOQo
Name 4-Chloro-3-(p-fluorophenyl)-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8ClFN4S
InChI InChI=1S/C12H8ClFN4S/c1-19-12-15-10(13)8-9(17-18-11(8)16-12)6-2-4-7(14)5-3-6/h2-5H,1H3,(H,15,16,17,18)
InChIKey SQDMLNVNMGWECH-UHFFFAOYSA-N
Molecular Weight 294.735 g/mol
SMILES [nH]1c2c(c(n1)-c1ccc(cc1)F)c(nc(n2)SC)Cl
SPLASH splash10-0007-0090000000-794fa5a869b5def35907
Source of Spectrum QE-15-1475-19a
Wiley ID 1692709