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Benzoic acid, 2-[(3-[1,2,4]triazol-1-yladamantane-1-carbonyl)amino]-, methyl ester
SpectraBase Compound ID F8U01XLUdWR
InChI InChI=1S/C21H24N4O3/c1-28-18(26)16-4-2-3-5-17(16)24-19(27)20-7-14-6-15(8-20)10-21(9-14,11-20)25-13-22-12-23-25/h2-5,12-15H,6-11H2,1H3,(H,24,27)/t14-,15+,20+,21-
InChIKey MLXFIKKKTAILEV-ZFJWPNLUSA-N
Mol Weight 380.45 g/mol
Molecular Formula C21H24N4O3
Exact Mass 380.184841 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FGXqxklhT0X
Name Benzoic acid, 2-[(3-[1,2,4]triazol-1-yladamantane-1-carbonyl)amino]-, methyl ester
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Formula C21H24N4O3
InChI InChI=1S/C21H24N4O3/c1-28-18(26)16-4-2-3-5-17(16)24-19(27)20-7-14-6-15(8-20)10-21(9-14,11-20)25-13-22-12-23-25/h2-5,12-15H,6-11H2,1H3,(H,24,27)/t14-,15+,20+,21-
InChIKey MLXFIKKKTAILEV-ZFJWPNLUSA-N
Molecular Weight 380.448 g/mol
SMILES N(C(=O)[C@]12C[C@@]3(C[C@](C[C@@](C3)(C1)[H])(C2)[n]1ncnc1)[H])c1ccccc1C(OC)=O
SPLASH splash10-0f89-6931000000-7b55e7d6c68d8378ddde
Source of Spectrum AD-0-2532-0
Synonyms 2-[[3-(1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]benzoic acid methyl ester 2-[[oxo-[3-(1,2,4-triazol-1-yl)-1-adamantyl]methyl]amino]benzoic acid methyl ester Methyl 2-(([3-(1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl)amino)benzoate Methyl 2-[[3-(1,2,4-triazol-1-yl)-1-adamantyl]carbonylamino]benzoate Methyl 2-[[3-(1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]benzoate
Wiley ID 1435038