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rel-(1S,3R,4R)-4-Hydroxy-5,8-dimethoxy-1,3-dimethylisochromane
SpectraBase Compound ID 9nRE6atQaXW
InChI InChI=1S/C13H18O4/c1-7-11-9(15-3)5-6-10(16-4)12(11)13(14)8(2)17-7/h5-8,13-14H,1-4H3/t7-,8+,13-/m0/s1
InChIKey QGGCNSNPESSETE-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 GKrBJzS4PQa
Name rel-(1S,3R,4R)-4-Hydroxy-5,8-dimethoxy-1,3-dimethylisochromane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-7-11-9(15-3)5-6-10(16-4)12(11)13(14)8(2)17-7/h5-8,13-14H,1-4H3/t7-,8+,13-/m0/s1
InChIKey QGGCNSNPESSETE-DAROEXNTSA-N
Molecular Weight 238.283 g/mol
SMILES O[C@@]1(c2c([C@](C)(O[C@@]1(C)[H])[H])c(OC)ccc2OC)[H]
SPLASH splash10-0a4l-0690000000-9ea5c96538dffe6191db
Source of Spectrum KC-0-3368-30
Synonyms (1S,3R,4R)-5,8-dimethoxy-1,3-dimethyl-3,4-dihydro-1H-2-benzopyran-4-ol
Wiley ID 823758