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N-[1-(1-adamantyl)propyl]-2-[5-(4-chlorophenyl)-1,2,3,4-tetrazol-2-yl]ethanamide
SpectraBase Compound ID GouUrJvDAZw
InChI InChI=1S/C22H28ClN5O/c1-2-19(22-10-14-7-15(11-22)9-16(8-14)12-22)24-20(29)13-28-26-21(25-27-28)17-3-5-18(23)6-4-17/h3-6,14-16,19H,2,7-13H2,1H3,(H,24,29)/t14-,15+,16-,19?,22-
InChIKey LTOCGYJGYAZVIV-OVAGRXEJSA-N
Mol Weight 413.95 g/mol
Molecular Formula C22H28ClN5O
Exact Mass 413.198238 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JMzgxNNjvOw
Name N-[1-(1-adamantyl)propyl]-2-[5-(4-chlorophenyl)-1,2,3,4-tetrazol-2-yl]ethanamide
Alternate Name(s) N-[1-(1-adamantyl)propyl]-2-[5-(4-chlorophenyl)-2-tetrazolyl]acetamide N-[1-(1-adamantyl)propyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
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Formula C22H28ClN5O
InChI InChI=1S/C22H28ClN5O/c1-2-19(22-10-14-7-15(11-22)9-16(8-14)12-22)24-20(29)13-28-26-21(25-27-28)17-3-5-18(23)6-4-17/h3-6,14-16,19H,2,7-13H2,1H3,(H,24,29)/t14-,15+,16-,19?,22-
InChIKey LTOCGYJGYAZVIV-OVAGRXEJSA-N
Molecular Weight 413.953 g/mol
SMILES N(C(CC)C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(=O)C[n]1nnc(-c2ccc(cc2)Cl)n1
SPLASH splash10-00kr-8915000000-51690c1336076ecf549e
Wiley ID 1512394