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3-[1'-[3''-[1'''-(4''''-BROMOBENZYL)-1''',2''',3'''-TRIAZOL-4'''-YL]-PROPYL]-1',2',3'-TRIAZOL-4'-YL]-PROPAN-1-OL
SpectraBase Compound ID J4TcX8qdADQ
InChI InChI=1S/C17H21BrN6O/c18-15-7-5-14(6-8-15)11-24-13-16(20-22-24)3-1-9-23-12-17(19-21-23)4-2-10-25/h5-8,12-13,25H,1-4,9-11H2
InChIKey JHQBMGPHNGQQNK-UHFFFAOYSA-N
Mol Weight 405.3 g/mol
Molecular Formula C17H21BrN6O
Exact Mass 404.096022 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J8HmOftyTrG
Name 3-[1'-[3''-[1'''-(4''''-BROMOBENZYL)-1''',2''',3'''-TRIAZOL-4'''-YL]-PROPYL]-1',2',3'-TRIAZOL-4'-YL]-PROPAN-1-OL
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H21BrN6O
InChI InChI=1S/C17H21BrN6O/c18-15-7-5-14(6-8-15)11-24-13-16(20-22-24)3-1-9-23-12-17(19-21-23)4-2-10-25/h5-8,12-13,25H,1-4,9-11H2
InChIKey JHQBMGPHNGQQNK-UHFFFAOYSA-N
Literature Reference Author T.F.BORGATI,R.B.ALVES,R.R.TEIXEIRA,R.P.D.FREITAS,T.G.PERDIGA O,S.F.D.SILVA
Literature Reference Citation J.BRAZ.CHEM.SOC.,24,953(2013)
Molecular Weight 405.297 g/mol
Source File Reference UWBT5218