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3-AMINO-2-(BENZOTRIAZOL-1-YL-ETHYL)-CROTONONITRILE
SpectraBase Compound ID IbxtBWWo0x8
InChI InChI=1S/C12H13N5/c1-8(14)10(7-13)9(2)17-12-6-4-3-5-11(12)15-16-17/h3-6,9H,14H2,1-2H3/b10-8-
InChIKey IBVZQXYCTRPHTP-NTMALXAHSA-N
Mol Weight 227.27 g/mol
Molecular Formula C12H13N5
Exact Mass 227.117095 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EsZvtTlGBqJ
Name 3-AMINO-2-(BENZOTRIAZOL-1-YL-ETHYL)-CROTONONITRILE
Compound Number 25B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13N5
InChI InChI=1S/C12H13N5/c1-8(14)10(7-13)9(2)17-12-6-4-3-5-11(12)15-16-17/h3-6,9H,14H2,1-2H3/b10-8-
InChIKey IBVZQXYCTRPHTP-NTMALXAHSA-N
Literature Reference Author A.R.KATRITZKY,B.GALUSZKA,S.RACHWAL,M.BLACK
Literature Reference Citation J.HETCYCL.CHEM.,31,917(1994)
Literature Reference DOI 10.1002/jhet.5570310438
Molecular Weight 227.269 g/mol
Solvent CDCl3
Source File Reference UWCS18817