John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=18WhYWtkxjp SpectraBase Spectrum ID=GEGI92zTwZ3

(accessed ).
7-BETA-BROMO-6-BETA-FLUORO-3,6-DIDEOXYNEOMORPHINE
SpectraBase Compound ID 18WhYWtkxjp
InChI InChI=1S/2C17H17BrFNO/c2*1-20-6-5-17-10-8-11(18)15(19)16(17)21-13-4-2-3-9(14(13)17)7-12(10)20/h2*2-4,8,11-12,15-16H,5-7H2,1H3/t2*11-,12-,15-,16?,17+/m11/s1
InChIKey WRYGIYSBZRBLAH-ZKXMFWBBSA-N
Mol Weight 700.46 g/mol
Molecular Formula C34H34Br2F2N2O2
Exact Mass 698.095507 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GEGI92zTwZ3
Name 7-BETA-BROMO-6-BETA-FLUORO-3,6-DIDEOXYNEOMORPHINE
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H34Br2F2N2O2
InChI InChI=1S/2C17H17BrFNO/c2*1-20-6-5-17-10-8-11(18)15(19)16(17)21-13-4-2-3-9(14(13)17)7-12(10)20/h2*2-4,8,11-12,15-16H,5-7H2,1H3/t2*11-,12-,15-,16?,17+/m11/s1
InChIKey WRYGIYSBZRBLAH-ZKXMFWBBSA-N
Literature Reference Author A.ZHANG,C.CSUTORAS,R.ZONG,J.L.NEUMEYER
Literature Reference Citation ORG.LETTERS,7,3239(2005)
Literature Reference DOI 10.1021/ol051010d
Molecular Weight 700.461 g/mol
Sample ID 57657
Solvent CDCl3
SpectraBase Batch ID IXqqBoPGso6