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2-Amino-4-(4-chlorophenyl)-6-hydroxypyrimidine-5-carbonitrile
SpectraBase Compound ID 5qsVU1ZNQSp
InChI InChI=1S/C11H7ClN4O/c12-7-3-1-6(2-4-7)9-8(5-13)10(17)16-11(14)15-9/h1-4H,(H3,14,15,16,17)
InChIKey VSOZPPMUGAVMAY-UHFFFAOYSA-N
Mol Weight 246.66 g/mol
Molecular Formula C11H7ClN4O
Exact Mass 246.030839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KvUkkcvdZXG
Name 2-Amino-4-(4-chlorophenyl)-6-hydroxypyrimidine-5-carbonitrile
Appearance White solid
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Exact Mass 246.030838560 u
Formula C11H7ClN4O
InChI InChI=1S/C11H7ClN4O/c12-7-3-1-6(2-4-7)9-8(5-13)10(17)16-11(14)15-9/h1-4H,(H3,14,15,16,17)
InChIKey VSOZPPMUGAVMAY-UHFFFAOYSA-N
Instrument Name FISONS GC 8000/TRIO 1011
Ionization Type EI Positive ion
Literature Reference DOI 10.1002/jhet.4453
Molecular Weight 246.657 g/mol
Quality 753
SMILES NC1=NC(=C(C(=N1)C1=CC=C(C=C1)Cl)C#N)O
SPLASH splash10-0zi4-7970000000-5e28b1cca18c83268f1d
Source of Spectrum Y-59-SM39-7b (DOI: 10.1002/jhet.4453)
Wiley ID 1892480