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6-Adamantyl-5-chloro-1,4-diazine-2,3-dicarbonitrile
SpectraBase Compound ID 8bDnQABkuD6
InChI InChI=1S/C16H15ClN4/c17-15-14(20-12(7-18)13(8-19)21-15)16-4-9-1-10(5-16)3-11(2-9)6-16/h9-11H,1-6H2/t9-,10+,11-,16-
InChIKey ADNPNQYZYDYJBF-XMEMTASGSA-N
Mol Weight 298.78 g/mol
Molecular Formula C16H15ClN4
Exact Mass 298.098524 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BBd1Hxct7Sx
Name 6-Adamantyl-5-chloro-1,4-diazine-2,3-dicarbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C16H15ClN4
InChI InChI=1S/C16H15ClN4/c17-15-14(20-12(7-18)13(8-19)21-15)16-4-9-1-10(5-16)3-11(2-9)6-16/h9-11H,1-6H2/t9-,10+,11-,16-
InChIKey ADNPNQYZYDYJBF-XMEMTASGSA-N
Molecular Weight 298.777 g/mol
SMILES C12(c3nc(C#N)c(nc3Cl)C#N)C[C@]3(C[C@@](C1)(C[C@@](C2)(C3)[H])[H])[H]
SPLASH splash10-0002-0092000000-bae482b0367f5b726d3a
Source of Spectrum H1-36-135-10
Synonyms 5-(2-adamantyl)-6-chloro-2,3-pyrazinedicarbonitrile 6-Adamantyl-5-chloro-1,4-diazine-2,3-dicabonitrile 5-(1-adamantyl)-6-chloropyrazine-2,3-dicarbonitrile 5-(1-adamantyl)-6-chloranyl-pyrazine-2,3-dicarbonitrile
Wiley ID 755187