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APLYDACTONE;(1R,3S,6S,8R,11S)-8-BROMO-3,7,7-TRIMETHYL-TETRACYCLO-[4.4.2.0-(1,6).0-(3,11)]-DODECAN-4-ONE
SpectraBase Compound ID D5rLXmDdcVD
InChI InChI=1S/C15H21BrO/c1-12(2)10(16)4-5-14-8-13(3)9(14)6-15(12,14)7-11(13)17/h9-10H,4-8H2,1-3H3/t9-,10-,13+,14-,15-/m1/s1
InChIKey PHDVWQDUJGLICU-RPBVYFRGSA-N
Mol Weight 297.24 g/mol
Molecular Formula C15H21BrO
Exact Mass 296.077578 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BeLlTotzNFb
Name APLYDACTONE;(1R,3S,6S,8R,11S)-8-BROMO-3,7,7-TRIMETHYL-TETRACYCLO-[4.4.2.0-(1,6).0-(3,11)]-DODECAN-4-ONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H21BrO
InChI InChI=1S/C15H21BrO/c1-12(2)10(16)4-5-14-8-13(3)9(14)6-15(12,14)7-11(13)17/h9-10H,4-8H2,1-3H3/t9-,10-,13+,14-,15-/m1/s1
InChIKey PHDVWQDUJGLICU-RPBVYFRGSA-N
Literature Reference Author S.N.FEDOROV,O.S.RADCHENKO,L.K.SHUBINA,A.I.KALINOVSKY,A.V.GER ASIMENKO,D.Y.POPOV,V
Literature Reference Citation J.AM.CHEM.SOC.,123,504(2001)
Literature Reference DOI 10.1021/ja003254t
Molecular Weight 297.235 g/mol
Solvent CDCl3
Source File Reference UWVN27849