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LAURENDECUMENYNE_B;(3-E)-6:10,9:13-BISEPOXY-12-BROMO-7-CHLOROPENTADECA-3-EN-1-YNE
SpectraBase Compound ID IR67Z2kLrs2
InChI InChI=1S/C15H20BrClO2/c1-3-5-6-7-13-11(17)9-15-14(19-13)8-10(16)12(4-2)18-15/h1,5-6,10-15H,4,7-9H2,2H3/b6-5-/t10-,11-,12-,13-,14+,15+/m0/s1
InChIKey NVMRARRBFWEZAC-OXXOWAFVSA-N
Mol Weight 347.68 g/mol
Molecular Formula C15H20BrClO2
Exact Mass 346.033521 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8nvDQyhMAXC
Name LAURENDECUMENYNE_B;(3-E)-6:10,9:13-BISEPOXY-12-BROMO-7-CHLOROPENTADECA-3-EN-1-YNE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H20BrClO2
InChI InChI=1S/C15H20BrClO2/c1-3-5-6-7-13-11(17)9-15-14(19-13)8-10(16)12(4-2)18-15/h1,5-6,10-15H,4,7-9H2,2H3/b6-5-/t10-,11-,12-,13-,14+,15+/m0/s1
InChIKey NVMRARRBFWEZAC-OXXOWAFVSA-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 347.680 g/mol
Sample ID 31582
Solvent CDCl3