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ISOBRUGIEROL
SpectraBase Compound ID C6AaBXETYQL
InChI InChI=1S/C3H6O2S2/c4-3-1-6-7(5)2-3/h3-4H,1-2H2
InChIKey MVXFWIGJTYCCIF-UHFFFAOYSA-N
Mol Weight 138.2 g/mol
Molecular Formula C3H6O2S2
Exact Mass 137.980922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5mXUqtTxmWQ
Name BRUGIEROL
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C3H6O2S2
InChI InChI=1S/C3H6O2S2/c4-3-1-6-7(5)2-3/h3-4H,1-2H2
InChIKey MVXFWIGJTYCCIF-UHFFFAOYSA-N
Literature Reference Author S.HOMHUAL,H.J.ZHANG,N.BUNYAPRAPHATSARA,T.P.KONDRATYUK,B.D.ME SECAR,A.HERUNSALEE,W
Literature Reference Citation PLANTA.MED.,72,255(2006)
Literature Reference DOI 10.1055/s-2005-873171
Molecular Weight 138.199 g/mol
Solvent CDCl3
Source File Reference UWMZ47305