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rel-(1S,3R,4R)-4-Hydroxy-6,8-dimethoxy-1,3-dimethylisochromane
SpectraBase Compound ID JUVpfrv5T
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-/m0/s1
InChIKey XKJJYIXSOWXUFD-DAROEXNTSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4tiK9X756wb
Name rel-(1S,3R,4R)-4-Hydroxy-6,8-dimethoxy-1,3-dimethylisochromane
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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-/m0/s1
InChIKey XKJJYIXSOWXUFD-DAROEXNTSA-N
Molecular Weight 238.283 g/mol
SMILES O[C@@]1(c2c([C@@](O[C@@]1(C)[H])(C)[H])c(cc(OC)c2)OC)[H]
SPLASH splash10-00di-0490000000-1c0d9a88bb0b4ce25264
Source of Spectrum KC-0-2245-31
Synonyms (1S,3R,4R)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydro-1H-2-benzopyran-4-ol
Wiley ID 786302