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7-CHLORO-CAVERNICOLENONE
SpectraBase Compound ID AGXuhzyEIZR
InChI InChI=1S/C8H8ClNO4/c9-4-1-7(13)2-5(11)10-8(14,3-7)6(4)12/h1,13-14H,2-3H2,(H,10,11)/t7-,8+/m0/s1
InChIKey OKDSBHPQKKBYCN-JGVFFNPUSA-N
Mol Weight 217.61 g/mol
Molecular Formula C8H8ClNO4
Exact Mass 217.014185 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1nwdJ0bTuzm
Name 7-CHLORO-CAVERNICOLENONE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H8ClNO4
InChI InChI=1S/C8H8ClNO4/c9-4-1-7(13)2-5(11)10-8(14,3-7)6(4)12/h1,13-14H,2-3H2,(H,10,11)/t7-,8+/m0/s1
InChIKey OKDSBHPQKKBYCN-JGVFFNPUSA-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 217.609 g/mol
Source File Reference UWBT6893