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

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3-ETHYL-4-TERT.-BUTOXYCARBONYLAMINO-5-CYANOMETHYL-4H-1,2,4-TRIAZOLE
SpectraBase Compound ID HDa9t4qzVsI
InChI InChI=1S/C11H17N5O2/c1-5-8-13-14-9(6-7-12)16(8)15-10(17)18-11(2,3)4/h5-6H2,1-4H3,(H,15,17)
InChIKey YCFUKRYHIZYYCB-UHFFFAOYSA-N
Mol Weight 251.29 g/mol
Molecular Formula C11H17N5O2
Exact Mass 251.138225 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8glhlXN3aCe
Name 3-ETHYL-4-TERT.-BUTOXYCARBONYLAMINO-5-CYANOMETHYL-4H-1,2,4-TRIAZOLE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H17N5O2
InChI InChI=1S/C11H17N5O2/c1-5-8-13-14-9(6-7-12)16(8)15-10(17)18-11(2,3)4/h5-6H2,1-4H3,(H,15,17)
InChIKey YCFUKRYHIZYYCB-UHFFFAOYSA-N
Literature Reference Author N.DEMIRBAS,A.DEMIRBAS,K.SANCAK
Literature Reference Citation TURK.J.CHEM.,26,801(2002)
Molecular Weight 251.288 g/mol
Solvent DMSO-D6
Source File Reference UWLU5818