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methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-phenyl-1-piperazinyl)methyl]-1H-1,2,3-triazole-4-carboxylate

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methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-phenyl-1-piperazinyl)methyl]-1H-1,2,3-triazole-4-carboxylate
SpectraBase Compound ID H4SNAkRK5BT
InChI InChI=1S/C17H20N8O3/c1-27-17(26)14-13(25(22-19-14)16-15(18)20-28-21-16)11-23-7-9-24(10-8-23)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H2,18,20)
InChIKey SJOHRJFFFDHOMG-UHFFFAOYSA-N
Mol Weight 384.4 g/mol
Molecular Formula C17H20N8O3
Exact Mass 384.165837 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 75RtPsFdejH
Name Methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-phenyl-1-piperazinyl)methyl]-1H-1,2,3-triazole-4-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.165836533 u
Formula C17H20N8O3
InChI InChI=1S/C17H20N8O3/c1-27-17(26)14-13(25(22-19-14)16-15(18)20-28-21-16)11-23-7-9-24(10-8-23)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H2,18,20)
InChIKey SJOHRJFFFDHOMG-UHFFFAOYSA-N
Molecular Weight 384.400 g/mol
SMILES NC=1C(N2C(=C(C(=O)OC)N=N2)CN2CCN(CC2)C2=CC=CC=C2)=NON1