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2,4-Diamino-6-(4-chlorophenyl)-5-pyrimidinecarbonitrile
SpectraBase Compound ID 1DgIqU2dwrh
InChI InChI=1S/C11H8ClN5/c12-7-3-1-6(2-4-7)9-8(5-13)10(14)17-11(15)16-9/h1-4H,(H4,14,15,16,17)
InChIKey LLSPDPUYMFGAEE-UHFFFAOYSA-N
Mol Weight 245.67 g/mol
Molecular Formula C11H8ClN5
Exact Mass 245.046823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3R4ADXo2KkW
Name 2,4-Diamino-6-(4-chlorophenyl)-5-pyrimidinecarbonitrile
Appearance White crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8ClN5
InChI InChI=1S/C11H8ClN5/c12-7-3-1-6(2-4-7)9-8(5-13)10(14)17-11(15)16-9/h1-4H,(H4,14,15,16,17)
InChIKey LLSPDPUYMFGAEE-UHFFFAOYSA-N
Instrument Name Shimadzu QP 1100EX
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0009.213
Molecular Weight 245.673 g/mol
SMILES Nc1nc(nc(c1C#N)-c1ccc(cc1)Cl)N
SPLASH splash10-0002-4090000000-175b58d17bcc4c8f85c2
Source of Spectrum ARK-2008-121-4i
Wiley ID 1869416