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2-(Adamantan-1-yl)-N-methyl-4,5-dinitropyrazol-3-amine
SpectraBase Compound ID Ejw1wj1Xt07
InChI InChI=1S/C14H19N5O4/c1-15-12-11(18(20)21)13(19(22)23)16-17(12)14-5-8-2-9(6-14)4-10(3-8)7-14/h8-10,15H,2-7H2,1H3/t8-,9+,10-,14-
InChIKey GCOYBSQIYDEZQT-SXBOEOOGSA-N
Mol Weight 321.34 g/mol
Molecular Formula C14H19N5O4
Exact Mass 321.143704 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ICMrOZdCd6F
Name 2-(Adamantan-1-yl)-N-methyl-4,5-dinitropyrazol-3-amine
Comments Computed using HOSE algorithm
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Exact Mass 321.143704108 u
Formula C14H19N5O4
InChI InChI=1S/C14H19N5O4/c1-15-12-11(18(20)21)13(19(22)23)16-17(12)14-5-8-2-9(6-14)4-10(3-8)7-14/h8-10,15H,2-7H2,1H3/t8-,9+,10-,14-
InChIKey GCOYBSQIYDEZQT-SXBOEOOGSA-N
Molecular Weight 321.337 g/mol
SMILES C12(C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])N1C(=C(C(=N1)N(=O)=O)N(=O)=O)NC