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(1'R,5'S,6'S)-2-(3',5'-DIBROMO-1',6'-DIHYDROXY-4'-OXO-CYCLOHEX-2'-ENYL)-ACETONITRILE
SpectraBase Compound ID 5OZj0AWzwoQ
InChI InChI=1S/C8H7Br2NO3/c9-4-3-8(14,1-2-11)7(13)5(10)6(4)12/h3,5,7,13-14H,1H2/t5-,7+,8+/m0/s1
InChIKey WHLPZHXHZAAZBP-UIISKDMLSA-N
Mol Weight 324.96 g/mol
Molecular Formula C8H7Br2NO3
Exact Mass 322.879269 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E1UIsgX1Qmn
Name (1'R,5'S,6'S)-2-(3',5'-DIBROMO-1',6'-DIHYDROXY-4'-OXO-CYCLOHEX-2'-ENYL)-ACETONITRILE
Compound Number 99
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H7Br2NO3
InChI InChI=1S/C8H7Br2NO3/c9-4-3-8(14,1-2-11)7(13)5(10)6(4)12/h3,5,7,13-14H,1H2/t5-,7+,8+/m0/s1
InChIKey WHLPZHXHZAAZBP-UIISKDMLSA-N
Literature Reference Author N.S.LIRA,R.C.MONTES,J.F.TAVARES,M.S.D.SILVA,E.V.L.D.CUNHA,P. F.D.ATHAYDE-FILHO
Literature Reference Citation MAR.DRUGS,9,2316(2011)
Literature Reference DOI 10.3390/md9112316
Molecular Weight 324.956 g/mol
Source File Reference UWBT6952