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2-(1-adamantyl)-4-chloranyl-5-(prop-2-enylamino)pyridazin-3-one
SpectraBase Compound ID BlNqIifqDMT
InChI InChI=1S/C17H22ClN3O/c1-2-3-19-14-10-20-21(16(22)15(14)18)17-7-11-4-12(8-17)6-13(5-11)9-17/h2,10-13,19H,1,3-9H2/t11-,12+,13-,17-
InChIKey AGMKEFQETOTDPD-FBBPANFNSA-N
Mol Weight 319.84 g/mol
Molecular Formula C17H22ClN3O
Exact Mass 319.14514 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID rW1PWO8nYh
Name 2-(1-adamantyl)-4-chloranyl-5-(prop-2-enylamino)pyridazin-3-one
Alternate Name(s) 2-(1-adamantyl)-4-chloro-5-(prop-2-enylamino)-3-pyridazinone 2-(1-adamantyl)-4-chloro-5-(prop-2-enylamino)pyridazin-3-one 2-(1-adamantyl)-5-(allylamino)-4-chloro-pyridazin-3-one 3(2H)-Pyridazinone, 4-chloro-5-(2-propenylamino)-2-tricyclo[3.3.1.1(3,7)]dec-1-yl-
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Formula C17H22ClN3O
InChI InChI=1S/C17H22ClN3O/c1-2-3-19-14-10-20-21(16(22)15(14)18)17-7-11-4-12(8-17)6-13(5-11)9-17/h2,10-13,19H,1,3-9H2/t11-,12+,13-,17-
InChIKey AGMKEFQETOTDPD-FBBPANFNSA-N
Molecular Weight 319.836 g/mol
SMILES N(C1=C(Cl)C(N(C23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])N=C1)=O)CC=C
SPLASH splash10-000l-9701000000-7cda14e04f453112e191
Wiley ID 1448975