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1H-[1,2,4]Triazole, 1-(3-chloroadamantan-1-yl)-5-methyl-3-nitro-
SpectraBase Compound ID 7eJq3iS7vFA
InChI InChI=1S/C13H17ClN4O2/c1-8-15-11(18(19)20)16-17(8)13-5-9-2-10(6-13)4-12(14,3-9)7-13/h9-10H,2-7H2,1H3/t9-,10+,12+,13-
InChIKey QBHAJUNYMWMAEH-QZHINBJYSA-N
Mol Weight 296.76 g/mol
Molecular Formula C13H17ClN4O2
Exact Mass 296.104004 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GVpzM2cpHB4
Name 1H-[1,2,4]Triazole, 1-(3-chloroadamantan-1-yl)-5-methyl-3-nitro-
Alternate Name(s) 1-(3-Chloranyl-1-adamantyl)-5-methyl-3-nitro-1,2,4-triazole 1-(3-Chloro-1-adamantyl)-5-methyl-3-nitro-1,2,4-triazole 1-(3-Chloro-1-adamantyl)-5-methyl-3-nitro-1H-1,2,4-triazole
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Formula C13H17ClN4O2
InChI InChI=1S/C13H17ClN4O2/c1-8-15-11(18(19)20)16-17(8)13-5-9-2-10(6-13)4-12(14,3-9)7-13/h9-10H,2-7H2,1H3/t9-,10+,12+,13-
InChIKey QBHAJUNYMWMAEH-QZHINBJYSA-N
Molecular Weight 296.758 g/mol
SMILES c1(nc(C)[n](n1)[C@]12C[C@@]3(Cl)C[C@@](C2)(C[C@@](C1)(C3)[H])[H])N(=O)=O
SPLASH splash10-014i-3910000000-982f72848175645b746b
Wiley ID 1441678