John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=DU2ofATg3YJ SpectraBase Spectrum ID=2bGArYtzZXP

(accessed ).
SENKYUNOLIDE_I;C3
SpectraBase Compound ID DU2ofATg3YJ
InChI InChI=1S/C12H16O4/c1-2-3-4-9-7-5-6-8(13)11(14)10(7)12(15)16-9/h4,8,11,13-14H,2-3,5-6H2,1H3/b9-4-/t8-,11+/m0/s1
InChIKey DQNGMIQSXNGHOA-JXQVETIVSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2bGArYtzZXP
Name LIGUSILIDIOL;3-BUTYLIDENE-4,5,6,7-TETRAHYDRO-6,7-DIHYDROXY-1-(3H)-ISOBENZOFURANONE
Compound Number 3
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-2-3-4-9-7-5-6-8(13)11(14)10(7)12(15)16-9/h4,8,11,13-14H,2-3,5-6H2,1H3/b9-4-/t8-,11+/m0/s1
InChIKey DQNGMIQSXNGHOA-JXQVETIVSA-N
Literature Reference Author K.E.BAE,Y.W.CHOI,S.T.KIM,Y.K.KIM
Literature Reference Citation MOLECULES,16,8833(2011)
Literature Reference DOI 10.3390/molecules16108833
Molecular Weight 224.257 g/mol
Sample ID 339
Solvent CD3OD
SpectraBase Batch ID 2XlE8VAvnBa