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

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3-METHYL-4-TERT.-BUTOXYCARBONYLAMINO-5-CYANOMETHYL-4H-1,2,4-TRIAZOLE
SpectraBase Compound ID LBRzyjYHg35
InChI InChI=1S/C10H15N5O2/c1-7-12-13-8(5-6-11)15(7)14-9(16)17-10(2,3)4/h5H2,1-4H3,(H,14,16)
InChIKey CQJXLYSHHLSPJB-UHFFFAOYSA-N
Mol Weight 237.26 g/mol
Molecular Formula C10H15N5O2
Exact Mass 237.122575 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7TBy2ytWr7r
Name 3-METHYL-4-TERT.-BUTOXYCARBONYLAMINO-5-CYANOMETHYL-4H-1,2,4-TRIAZOLE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H15N5O2
InChI InChI=1S/C10H15N5O2/c1-7-12-13-8(5-6-11)15(7)14-9(16)17-10(2,3)4/h5H2,1-4H3,(H,14,16)
InChIKey CQJXLYSHHLSPJB-UHFFFAOYSA-N
Literature Reference Author N.DEMIRBAS,A.DEMIRBAS,K.SANCAK
Literature Reference Citation TURK.J.CHEM.,26,801(2002)
Molecular Weight 237.261 g/mol
Solvent CDCl3
Source File Reference UWLU5817