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NZBKCNQQOBHOFJ-XEMRSDKPSA-N

View entire compound with spectra: 1 NMR

NZBKCNQQOBHOFJ-XEMRSDKPSA-N
SpectraBase Compound ID 4KB9ZFucszL
InChI InChI=1S/C16H22BrClO5/c1-8-16-14(23-16)6-10(17)12-7-11(18)13(22-12)5-9(21-8)3-4-15(19)20-2/h3-4,8-14,16H,5-7H2,1-2H3/b4-3+/t8-,9-,10-,11+,12-,13+,14+,16-/m0/s1
InChIKey NZBKCNQQOBHOFJ-XEMRSDKPSA-N
Mol Weight 409.7 g/mol
Molecular Formula C16H22BrClO5
Exact Mass 408.033915 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L7xn02X5x4V
Name NZBKCNQQOBHOFJ-XEMRSDKPSA-N
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H22BrClO5
InChI InChI=1S/C16H22BrClO5/c1-8-16-14(23-16)6-10(17)12-7-11(18)13(22-12)5-9(21-8)3-4-15(19)20-2/h3-4,8-14,16H,5-7H2,1-2H3/b4-3+/t8-,9-,10-,11+,12-,13+,14+,16-/m0/s1
InChIKey NZBKCNQQOBHOFJ-XEMRSDKPSA-N
Literature Reference Author A.GUTIERREZ-CEPEDA,J.J.FERNANDEZ,L.V.GIL,M.LOPEZ-RODRIGUEZ,M .NORTE,M.L.SOUTO
Literature Reference Citation J.NAT.PROD.,74,441(2011)
Literature Reference DOI 10.1021/np100866g
Molecular Weight 409.705 g/mol
Sample ID 37468
Solvent CDCl3