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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 H6YGkJDlQZd
Name TRANS-E-3-BUTYLIDENE-4,5,6,7-TETRAHYDRO-6,7-DIHYDROXY-1(3H)-ISOBENZOFURANONE
Compound Number 3
Copyright Copyright © 2016-2024 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 J.N.GRECH,Q.LI,B.D.ROUFOGALIS,C.C.DUKE
Literature Reference Citation J.NAT.PROD.,57,1682(1994)
Literature Reference DOI 10.1021/np50114a010
Molecular Weight 224.257 g/mol
Solvent CD3OD
Source File Reference UWRK270