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(4a,8a-cis) 8a-methoxycarbonyl-8-hydroxymethyl-1,2,4a,5,8,8a-hexahydronaphthalene-1,2-dione
SpectraBase Compound ID 3Fld17TJLFK
InChI InChI=1S/C13H14O5/c1-18-12(17)13-8(3-2-4-9(13)7-14)5-6-10(15)11(13)16/h2,4-6,8-9,14H,3,7H2,1H3/t8-,9+,13-/m0/s1
InChIKey VXKSUXUHLDQZNJ-RWEMILLDSA-N
Mol Weight 250.25 g/mol
Molecular Formula C13H14O5
Exact Mass 250.084124 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JhrWaHX50wJ
Name (4A,8A-CIS)-8A-METHOXYCARBONYL-8-HYDROXYMETHYL-1,2,4A,5,8,8A-HEXAHYDRONAPHTHALENE-1,2-DIONE
Compound Number 6C
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Formula C13H14O5
InChI InChI=1S/C13H14O5/c1-18-12(17)13-8(3-2-4-9(13)7-14)5-6-10(15)11(13)16/h2,4-6,8-9,14H,3,7H2,1H3/t8-,9+,13-/m0/s1
InChIKey VXKSUXUHLDQZNJ-RWEMILLDSA-N
Literature Reference Author R.CARLINI,C.L.FANG,D.HERRINGTON,K.HIGGS,R.RODRIGO,N.TAYLOR
Literature Reference Citation AUSTR.J.CHEM.,50,271(1997)
Literature Reference DOI 10.1071/C96099
Molecular Weight 250.251 g/mol
Solvent CDCl3
Source File Reference UWCS15755