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(+/-)-TRANS-1-ACETOXY-4-(2-AMINO-3,5-DIBROMOBENZYLAMINO)-CYCLOHEX-2-ENE
SpectraBase Compound ID B614ET22gKM
InChI InChI=1S/C15H18Br2N2O2/c1-9(20)21-13-4-2-12(3-5-13)19-8-10-6-11(16)7-14(17)15(10)18/h2,4,6-7,12-13,19H,3,5,8,18H2,1H3/t12-,13-/m0/s1
InChIKey ILSPPSOLAHEGML-STQMWFEESA-N
Mol Weight 418.13 g/mol
Molecular Formula C15H18Br2N2O2
Exact Mass 415.973504 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jpkm4up45Vk
Name (+/-)-TRANS-1-ACETOXY-4-(2-AMINO-3,5-DIBROMOBENZYLAMINO)-CYCLOHEX-2-ENE
Compound Number 13B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H18Br2N2O2
InChI InChI=1S/C15H18Br2N2O2/c1-9(20)21-13-4-2-12(3-5-13)19-8-10-6-11(16)7-14(17)15(10)18/h2,4,6-7,12-13,19H,3,5,8,18H2,1H3/t12-,13-/m0/s1
InChIKey ILSPPSOLAHEGML-STQMWFEESA-N
Literature Reference Author A.L.E.LARSSON,R.G.P.GATTI,J.E.BAECKVALL
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2873(1997)
Literature Reference DOI 10.1039/a702141k
Molecular Weight 418.128 g/mol
Solvent CDCl3
Source File Reference UWRU7918