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1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-tricyclo[3.3.1.1~3,7~]dec-1-yl-1-piperazinyl)methyl]-, ethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-tricyclo[3.3.1.1~3,7~]dec-1-yl-1-piperazinyl)methyl]-, ethyl ester
SpectraBase Compound ID 5snqjZ62drx
InChI InChI=1S/C22H32N8O3/c1-2-32-21(31)18-17(30(27-24-18)20-19(23)25-33-26-20)13-28-3-5-29(6-4-28)22-10-14-7-15(11-22)9-16(8-14)12-22/h14-16H,2-13H2,1H3,(H2,23,25)/t14-,15+,16-,22-
InChIKey GDZRHHODNXDWNL-OFWUGVANSA-N
Mol Weight 456.6 g/mol
Molecular Formula C22H32N8O3
Exact Mass 456.259737 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4UoH6zeLs4M
Name 5-[[4-(1-adamantyl)-1-piperazinyl]methyl]-1-(4-amino-1,2,5-oxadiazol-3-yl)-4-triazolecarboxylic acid ethyl ester
Alternate Name(s) 5-[[4-(1-adamantyl)piperazino]methyl]-1-(4-aminofurazan-3-yl)triazole-4-carboxylic acid ethyl ester Ethyl 5-[[4-(1-adamantyl)piperazin-1-yl]methyl]-1-(4-amino-1,2,5-oxadiazol-3-yl)triazole-4-carboxylate Ethyl 5-[[4-(1-adamantyl)piperazin-1-yl]methyl]-1-(4-azanyl-1,2,5-oxadiazol-3-yl)-1,2,3-triazole-4-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32N8O3
InChI InChI=1S/C22H32N8O3/c1-2-32-21(31)18-17(30(27-24-18)20-19(23)25-33-26-20)13-28-3-5-29(6-4-28)22-10-14-7-15(11-22)9-16(8-14)12-22/h14-16H,2-13H2,1H3,(H2,23,25)/t14-,15+,16-,22-
InChIKey GDZRHHODNXDWNL-OFWUGVANSA-N
Molecular Weight 456.551 g/mol
SMILES Nc1c(-[n]2c(c(C(=O)OCC)nn2)CN2CCN(C34C[C@]5(C[C@@](C4)(C[C@@](C3)(C5)[H])[H])[H])CC2)non1
SPLASH splash10-000i-5920000000-3da3b10458bc2c1ca47e
Wiley ID 1462004