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(3S)-(3',5'-DIHYDROXYPHENYL)-BUTAN-2-ONE
SpectraBase Compound ID ANYySaPCjFF
InChI InChI=1S/C10H12O3/c1-6(7(2)11)8-3-9(12)5-10(13)4-8/h3-6,12-13H,1-2H3/t6-/m1/s1
InChIKey FRFPBNSSHPTWHO-ZCFIWIBFSA-N
Mol Weight 180.2 g/mol
Molecular Formula C10H12O3
Exact Mass 180.078644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID WbJvYI2m0k
Name (3S)-(3',5'-DIHYDROXYPHENYL)-BUTAN-2-ONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H12O3
InChI InChI=1S/C10H12O3/c1-6(7(2)11)8-3-9(12)5-10(13)4-8/h3-6,12-13H,1-2H3/t6-/m1/s1
InChIKey FRFPBNSSHPTWHO-ZCFIWIBFSA-N
Literature Reference Author U.HOELLER,G.M.KOENIG,A.D.WRIGHT
Literature Reference Citation J.NAT.PROD.,62,114(1999)
Literature Reference DOI 10.1021/np980341e
Molecular Weight 180.203 g/mol
Solvent CDCl3
Source File Reference UWCS19847