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LAURENDECUMENYNE_A;(3-E)-6:10,9:13-BISEPOXY-12-BROMO-9-HYDROPEROXYLPENTADECA-3-EN-1-YNE
SpectraBase Compound ID 4heU6F8C0ZV
InChI InChI=1S/C15H21BrO4/c1-3-5-6-7-12-14-9-15(20-17)13(19-12)8-10(16)11(4-2)18-14/h1,5-6,10-15,17H,4,7-9H2,2H3/b6-5-/t10-,11+,12+,13+,14-,15+/m0/s1
InChIKey LKCIGYCRLQLMBC-NNNWXBAASA-N
Mol Weight 345.23 g/mol
Molecular Formula C15H21BrO4
Exact Mass 344.062322 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 47ij10Foob9
Name LAURENDECUMENYNE_A;(3-E)-6:10,9:13-BISEPOXY-12-BROMO-9-HYDROPEROXYLPENTADECA-3-EN-1-YNE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H21BrO4
InChI InChI=1S/C15H21BrO4/c1-3-5-6-7-12-14-9-15(20-17)13(19-12)8-10(16)11(4-2)18-14/h1,5-6,10-15,17H,4,7-9H2,2H3/b6-5-/t10-,11+,12+,13+,14-,15+/m0/s1
InChIKey LKCIGYCRLQLMBC-NNNWXBAASA-N
Literature Reference Author N.Y.JI,X.M.LI,K.LI,B.G.WANG
Literature Reference Citation J.NAT.PROD.,70,1499(2007)
Literature Reference DOI 10.1021/np0701172
Molecular Weight 345.233 g/mol
Sample ID 31581
Solvent CDCl3