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MGDWUOIQBFKZLL-RMKNXTFCSA-N
SpectraBase Compound ID 4HtciIZo1T6
InChI InChI=1S/C10H16BrN3/c1-8(2)10(13-14-12)5-4-9(3)6-7-11/h6,10H,1,4-5,7H2,2-3H3/b9-6+
InChIKey MGDWUOIQBFKZLL-RMKNXTFCSA-N
Mol Weight 258.16 g/mol
Molecular Formula C10H16BrN3
Exact Mass 257.052761 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6OgMF4NTfyt
Name MGDWUOIQBFKZLL-RMKNXTFCSA-N
Compound Number ISOMERIC-PRODUCT-OF-#8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H16BrN3
InChI InChI=1S/C10H16BrN3/c1-8(2)10(13-14-12)5-4-9(3)6-7-11/h6,10H,1,4-5,7H2,2-3H3/b9-6+
InChIKey MGDWUOIQBFKZLL-RMKNXTFCSA-N
Literature Reference Author T.A.KALE,M.D.DISTEFANO
Literature Reference Citation ORG.LETTERS,5,609(2003)
Literature Reference DOI 10.1021/ol026752a
Molecular Weight 258.161 g/mol
Sample ID 49468
Solvent CDCl3