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rel-(1R,3R,4S)-4-Hydroxy-6,8-dimethoxy-1,3-dimethylisochromane
SpectraBase Compound ID 47ybMtebBWL
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-OTPXZMOZSA-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 7Hzm1s6Hn68
Name rel-(1R,3R,4S)-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-/m1/s1
InChIKey XKJJYIXSOWXUFD-OTPXZMOZSA-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 splash10-0ab9-0190000000-d6025cc134b13044a672
Source of Spectrum KC-0-2245-19
Synonyms (1R,3R,4S)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydro-1H-2-benzopyran-4-ol
Wiley ID 786306