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2-[3-Acetylamino-5-methyl-1H-1,2,4-triazol-1-yl]-2-adamantyl acetate
SpectraBase Compound ID 9MOS0jTBkRO
InChI InChI=1S/C17H24N4O3/c1-9-18-16(19-10(2)22)20-21(9)17(24-11(3)23)14-5-12-4-13(7-14)8-15(17)6-12/h12-15H,4-8H2,1-3H3,(H,19,20,22)/t12-,13+,14-,15+,17?
InChIKey NGNJEYXMFNJYPY-CQQIWXSWSA-N
Mol Weight 332.4 g/mol
Molecular Formula C17H24N4O3
Exact Mass 332.184841 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3WIRiB6G8gE
Name 2-[3-Acetylamino-5-methyl-1H-1,2,4-triazol-1-yl]-2-adamantyl acetate
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Formula C17H24N4O3
InChI InChI=1S/C17H24N4O3/c1-9-18-16(19-10(2)22)20-21(9)17(24-11(3)23)14-5-12-4-13(7-14)8-15(17)6-12/h12-15H,4-8H2,1-3H3,(H,19,20,22)/t12-,13+,14-,15+,17?
InChIKey NGNJEYXMFNJYPY-CQQIWXSWSA-N
Molecular Weight 332.404 g/mol
SMILES N(c1n[n](C2([C@]3(C[C@]4(C[C@@]2(C[C@](C4)(C3)[H])[H])[H])[H])OC(=O)C)c(n1)C)C(=O)C
SPLASH splash10-052e-9300000000-855f0f11efefd03c398b
Source of Spectrum H1-48-1404-6
Synonyms Acetic acid[2-(3-acetamido-5-methyl-1,2,4-triazol-1-yl)-2-adamantyl]ester [2-(3-acetamido-5-methyl-1,2,4-triazol-1-yl)-2-adamantyl]acetate [2-(3-acetamido-5-methyl-1,2,4-triazol-1-yl)-2-adamantyl]ethanoate [2-(3-acetamido-5-methyl-1,2,4-triazol-1-yl)-2-adamantyl] acetate [2-(3-acetamido-5-methyl-1,2,4-triazol-1-yl)-2-adamantyl] ethanoate
Wiley ID 816576