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(1S,3S)-6,8-dimethoxy-1,3-dimethylisochroman
SpectraBase Compound ID Eg2PWwcofJ3
InChI InChI=1S/C13H18O3/c1-8-5-10-6-11(14-3)7-12(15-4)13(10)9(2)16-8/h6-9H,5H2,1-4H3/t8-,9-/m0/s1
InChIKey XOHNLZKINYZQTA-IUCAKERBSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 90KJNxEWbBA
Name (1S,3S)-6,8-dimethoxy-1,3-dimethylisochroman
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-8-5-10-6-11(14-3)7-12(15-4)13(10)9(2)16-8/h6-9H,5H2,1-4H3/t8-,9-/m0/s1
InChIKey XOHNLZKINYZQTA-IUCAKERBSA-N
Molecular Weight 222.284 g/mol
SMILES c12c(cc(cc2OC)OC)C[C@@](O[C@]1(C)[H])(C)[H]
SPLASH splash10-0a4i-0090000000-100b215a55de5ff356a3
Source of Spectrum KC-0-806-38
Synonyms (1S,3S)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydro-1H-2-benzopyran 6,8-Dimethoxy-trans-1,3-dimethylisochroman
Wiley ID 830177