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ROGIOLENYNE-C;(-)-(2R*,3S*,4R*,5R*,7S*)-3-(BROMOMETHYL)-5-CHLORO-7-[(Z)-1-CHLOROHEX-3-EN-5-YNYL]-2-ETHYLOXEPAN-4-YL-ACETATE
SpectraBase Compound ID HRhn247cCQN
InChI InChI=1S/C17H23BrCl2O3/c1-4-6-7-8-13(19)16-9-14(20)17(22-11(3)21)12(10-18)15(5-2)23-16/h1,6-7,12-17H,5,8-10H2,2-3H3/b7-6-/t12-,13?,14+,15+,16-,17+/m0/s1
InChIKey ZRNIGMYDZPOFHS-WEMVXGQOSA-N
Mol Weight 426.18 g/mol
Molecular Formula C17H23BrCl2O3
Exact Mass 424.020763 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FX1VRWx87Cf
Name ROGIOLENYNE-C;(-)-(2R*,3S*,4R*,5R*,7S*)-3-(BROMOMETHYL)-5-CHLORO-7-[(Z)-1-CHLOROHEX-3-EN-5-YNYL]-2-ETHYLOXEPAN-4-YL-ACETATE
Compound Number (-)-4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H23BrCl2O3
InChI InChI=1S/C17H23BrCl2O3/c1-4-6-7-8-13(19)16-9-14(20)17(22-11(3)21)12(10-18)15(5-2)23-16/h1,6-7,12-17H,5,8-10H2,2-3H3/b7-6-/t12-,13?,14+,15+,16-,17+/m0/s1
InChIKey ZRNIGMYDZPOFHS-WEMVXGQOSA-N
Literature Reference Author G.GUELLA,F.PIETRA
Literature Reference Citation HELV.CHIM.ACTA,74,47(1991)
Literature Reference DOI 10.1002/hlca.19910740107
Molecular Weight 426.178 g/mol
Solvent CDCl3
Source File Reference UWVP4433