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3-(PARA-CHLOROBENZYL)-4-HEXYLAMINO-5-OXO-4,5-DIHYDRO-[1,2,4]-TRIAZOLE

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3-(PARA-CHLOROBENZYL)-4-HEXYLAMINO-5-OXO-4,5-DIHYDRO-[1,2,4]-TRIAZOLE
SpectraBase Compound ID 5q444lTq4Uz
InChI InChI=1S/C15H21ClN4O/c1-2-3-4-5-10-17-20-14(18-19-15(20)21)11-12-6-8-13(16)9-7-12/h6-9,17H,2-5,10-11H2,1H3,(H,19,21)
InChIKey BCPGVUSBSGEXMD-UHFFFAOYSA-N
Mol Weight 308.81 g/mol
Molecular Formula C15H21ClN4O
Exact Mass 308.140389 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8bqUEJLaAl5
Name 3-(PARA-CHLOROBENZYL)-4-HEXYLAMINO-5-OXO-4,5-DIHYDRO-[1,2,4]-TRIAZOLE
Compound Number 9C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H21ClN4O
InChI InChI=1S/C15H21ClN4O/c1-2-3-4-5-10-17-20-14(18-19-15(20)21)11-12-6-8-13(16)9-7-12/h6-9,17H,2-5,10-11H2,1H3,(H,19,21)
InChIKey BCPGVUSBSGEXMD-UHFFFAOYSA-N
Literature Reference Author N.DEMIRBAS,R.UGURLUOGLU
Literature Reference Citation TURK.J.CHEM.,28,559(2004)
Molecular Weight 308.811 g/mol
Solvent DMSO-D6
Source File Reference UWLU5976