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5-METHYL-4-[3-[4-[3-(3-METHYL-5-OXO-1,5-DIHYDRO-4H-1,2,4-TRIAZOL-4-YL)-PROPYL]-PIPERAZIN-1-YL]-PROPYL]-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE

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5-METHYL-4-[3-[4-[3-(3-METHYL-5-OXO-1,5-DIHYDRO-4H-1,2,4-TRIAZOL-4-YL)-PROPYL]-PIPERAZIN-1-YL]-PROPYL]-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE
SpectraBase Compound ID 2j2T7tbItS3
InChI InChI=1S/C16H28N8O2/c1-13-17-19-15(25)23(13)7-3-5-21-9-11-22(12-10-21)6-4-8-24-14(2)18-20-16(24)26/h3-12H2,1-2H3,(H,19,25)(H,20,26)
InChIKey OBILNOXTEGFSBE-UHFFFAOYSA-N
Mol Weight 364.45 g/mol
Molecular Formula C16H28N8O2
Exact Mass 364.233522 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8eLXTT3nkrj
Name 5-METHYL-4-[3-[4-[3-(3-METHYL-5-OXO-1,5-DIHYDRO-4H-1,2,4-TRIAZOL-4-YL)-PROPYL]-PIPERAZIN-1-YL]-PROPYL]-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE
Compound Number 9A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H28N8O2
InChI InChI=1S/C16H28N8O2/c1-13-17-19-15(25)23(13)7-3-5-21-9-11-22(12-10-21)6-4-8-24-14(2)18-20-16(24)26/h3-12H2,1-2H3,(H,19,25)(H,20,26)
InChIKey OBILNOXTEGFSBE-UHFFFAOYSA-N
Literature Reference Author H.BEKTAS,N.KARAALI,D.SAHIN,A.DEMIRBAS,S.A.KARAOGLU,N.DEMIRBA S
Literature Reference Citation MOLECULES,15,2427(2010)
Literature Reference DOI 10.3390/molecules15042427
Molecular Weight 364.451 g/mol
Sample ID 70253
Solvent DMSO-D6