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3-PARA-CHLOROBENZYL-4-TERT.-BUTOXYCARBONYLAMINO-5-CYANOMETHYL-4H-1,2,4-TRIAZOLE
SpectraBase Compound ID 6Q8gXxwZqGC
InChI InChI=1S/C16H18ClN5O2/c1-16(2,3)24-15(23)21-22-13(8-9-18)19-20-14(22)10-11-4-6-12(17)7-5-11/h4-7H,8,10H2,1-3H3,(H,21,23)
InChIKey FIGMVHDJTNBASY-UHFFFAOYSA-N
Mol Weight 347.81 g/mol
Molecular Formula C16H18ClN5O2
Exact Mass 347.114903 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6uvYo1xC2A7
Name 3-PARA-CHLOROBENZYL-4-TERT.-BUTOXYCARBONYLAMINO-5-CYANOMETHYL-4H-1,2,4-TRIAZOLE
Compound Number 3D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H18ClN5O2
InChI InChI=1S/C16H18ClN5O2/c1-16(2,3)24-15(23)21-22-13(8-9-18)19-20-14(22)10-11-4-6-12(17)7-5-11/h4-7H,8,10H2,1-3H3,(H,21,23)
InChIKey FIGMVHDJTNBASY-UHFFFAOYSA-N
Literature Reference Author N.DEMIRBAS,A.DEMIRBAS,K.SANCAK
Literature Reference Citation TURK.J.CHEM.,26,801(2002)
Molecular Weight 347.804 g/mol
Solvent CDCl3
Source File Reference UWLU5820