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rel-(1S,3R,4R)-4-Hydroxy-6,8-dimethoxy-1,3-dimethylisochromane
SpectraBase Compound ID 98pM75RK1cx
InChI InChI=1S/C13H18O4/c1-7-12-10(13(14)8(2)17-7)5-9(15-3)6-11(12)16-4/h5-8,13-14H,1-4H3/t7-,8+,13-/m1/s1
InChIKey XKJJYIXSOWXUFD-BFHDXFOESA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 78hpQQ067pb
Name REL-(1S,3R,4R)-4-HYDROXY-6,8-DIMETHOXY-1,3-DIMETHYLISOCHROMANE
Compound Number 31
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Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-7-12-10(13(14)8(2)17-7)5-9(15-3)6-11(12)16-4/h5-8,13-14H,1-4H3/t7-,8+,13-/m1/s1
InChIKey XKJJYIXSOWXUFD-BFHDXFOESA-N
Literature Reference Author R.G.F.GILES,R.W.RICKARDS,B.S.SENANAYAKE
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2241(1996)
Literature Reference DOI 10.1039/p19960002241
Molecular Weight 238.284 g/mol
Solvent CDCl3
Source File Reference WANG2035