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Algoane
SpectraBase Compound ID 22Q1x4tyktW
InChI InChI=1S/C17H27Br2ClO4/c1-9(21)24-13-8-15(4,20)11(19)7-17(13,23)16(5)12(22)6-10(18)14(16,2)3/h10-13,22-23H,6-8H2,1-5H3/t10-,11+,12+,13+,15+,16+,17+/m0/s1
InChIKey YZHYAKQANFUWDQ-ZOTHFQOCSA-N
Mol Weight 490.66 g/mol
Molecular Formula C17H27Br2ClO4
Exact Mass 487.996463 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4oC8a5s1bGX
Name ALGOANE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H27Br2ClO4
InChI InChI=1S/C17H27Br2ClO4/c1-9(21)24-13-8-15(4,20)11(19)7-17(13,23)16(5)12(22)6-10(18)14(16,2)3/h10-13,22-23H,6-8H2,1-5H3/t10-,11+,12+,13+,15+,16+,17+/m0/s1
InChIKey YZHYAKQANFUWDQ-ZOTHFQOCSA-N
Literature Reference Author K.L.MCPHAIL,M.T.DAVIES-COLEMAN,R.C.B.COPLEY,D.S.EGGLESTON
Literature Reference Citation J.NAT.PROD.,62,1618(1999)
Literature Reference DOI 10.1021/np990229w
Molecular Weight 490.660 g/mol
Solvent CDCl3
Source File Reference UWRU501