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[4-(4-Chlorocoumarin-3-yl)pyrimidin-2-yl]cyanamide
SpectraBase Compound ID HSdpGr3lUVN
InChI InChI=1S/C14H7ClN4O2/c15-12-8-3-1-2-4-10(8)21-13(20)11(12)9-5-6-17-14(19-9)18-7-16/h1-6H,(H,17,18,19)
InChIKey KJRCLPINSOCRMO-UHFFFAOYSA-N
Mol Weight 298.69 g/mol
Molecular Formula C14H7ClN4O2
Exact Mass 298.025753 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LVTaBXwNSbV
Name [4-(4-Chlorocoumarin-3-yl)pyrimidin-2-yl]cyanamide
Appearance Pale yellow crystals
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Formula C14H7ClN4O2
InChI InChI=1S/C14H7ClN4O2/c15-12-8-3-1-2-4-10(8)21-13(20)11(12)9-5-6-17-14(19-9)18-7-16/h1-6H,(H,17,18,19)
InChIKey KJRCLPINSOCRMO-UHFFFAOYSA-N
Instrument Name Shimadzu GC-2010
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3811
Molecular Weight 298.689 g/mol
SMILES N(C#N)c1nc(ccn1)C=1C(Oc2ccccc2C1Cl)=O
SPLASH splash10-03fr-9200000000-dcbbbc2e12447d286af9
Source of Spectrum Y-57-720-3
Wiley ID 1860030