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QUABALACTONE-III

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QUABALACTONE-III
SpectraBase Compound ID IswwDiikbPs
InChI InChI=1S/C6H9NO2/c1-3-4(2)9-6(8)5(3)7/h4H,7H2,1-2H3/t4-/m1/s1
InChIKey AFXUOKDSKBJSRH-SCSAIBSYSA-N
Mol Weight 127.14 g/mol
Molecular Formula C6H9NO2
Exact Mass 127.063329 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K5IBrOhkWK
Name QUABALACTONE-III
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H9NO2
InChI InChI=1S/C6H9NO2/c1-3-4(2)9-6(8)5(3)7/h4H,7H2,1-2H3/t4-/m1/s1
InChIKey AFXUOKDSKBJSRH-SCSAIBSYSA-N
Literature Reference Author T.M.ZENNIE,J.M.CASSADY
Literature Reference Citation J.NAT.PROD.,53,1611(1990)
Literature Reference DOI 10.1021/np50072a040
Molecular Weight 127.143 g/mol
Solvent CDCl3
Source File Reference UWGE2094