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3-BENZYL-4-TERT.-BUTOXYCARBONYLAMINO-5-CYANOMETHYL-4H-1,2,4-TRIAZOLE

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3-BENZYL-4-TERT.-BUTOXYCARBONYLAMINO-5-CYANOMETHYL-4H-1,2,4-TRIAZOLE
SpectraBase Compound ID 12EfjSoHP5a
InChI InChI=1S/C16H19N5O2/c1-16(2,3)23-15(22)20-21-13(9-10-17)18-19-14(21)11-12-7-5-4-6-8-12/h4-8H,9,11H2,1-3H3,(H,20,22)
InChIKey POUZIOBGMWKCOH-UHFFFAOYSA-N
Mol Weight 313.36 g/mol
Molecular Formula C16H19N5O2
Exact Mass 313.153875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6xFxyEuG6gd
Name 3-BENZYL-4-TERT.-BUTOXYCARBONYLAMINO-5-CYANOMETHYL-4H-1,2,4-TRIAZOLE
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H19N5O2
InChI InChI=1S/C16H19N5O2/c1-16(2,3)23-15(22)20-21-13(9-10-17)18-19-14(21)11-12-7-5-4-6-8-12/h4-8H,9,11H2,1-3H3,(H,20,22)
InChIKey POUZIOBGMWKCOH-UHFFFAOYSA-N
Literature Reference Author N.DEMIRBAS,A.DEMIRBAS,K.SANCAK
Literature Reference Citation TURK.J.CHEM.,26,801(2002)
Molecular Weight 313.359 g/mol
Solvent CDCl3
Source File Reference UWLU5819