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2-(1-Adamantyl)-5-(3,5-dinitrophenyl)-1,3,4-oxadiazole
SpectraBase Compound ID IUKjZlUtBU5
InChI InChI=1S/C18H18N4O5/c23-21(24)14-4-13(5-15(6-14)22(25)26)16-19-20-17(27-16)18-7-10-1-11(8-18)3-12(2-10)9-18/h4-6,10-12H,1-3,7-9H2/t10-,11+,12-,18-
InChIKey FFNUNXSIDBZWLJ-TTXAVTLXSA-N
Mol Weight 370.37 g/mol
Molecular Formula C18H18N4O5
Exact Mass 370.12772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BtMjhdc4b1g
Name 2-(1-Adamantyl)-5-(3,5-dinitrophenyl)-1,3,4-oxadiazole
Alternate Name(s) 2-((3r,5r,7r)-adamantan-1-yl)-5-(3,5-dinitrophenyl)-1,3,4-oxadiazole
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Formula C18H18N4O5
InChI InChI=1S/C18H18N4O5/c23-21(24)14-4-13(5-15(6-14)22(25)26)16-19-20-17(27-16)18-7-10-1-11(8-18)3-12(2-10)9-18/h4-6,10-12H,1-3,7-9H2/t10-,11+,12-,18-
InChIKey FFNUNXSIDBZWLJ-TTXAVTLXSA-N
Molecular Weight 370.365 g/mol
SMILES c1(C23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])oc(-c2cc(N(=O)=O)cc(N(=O)=O)c2)nn1
SPLASH splash10-006x-8709000000-b0b0c42d6d4a9256d30b
Source of Spectrum EMC-42-239-4f
Wiley ID 1735165