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6-Methoxy-3a.alpha.,4,5,6.alpha.,6a.alpha.,7,8,9b.beta.-octahydroazuleno(4,5-b)furan-2-(3H),9(9a.alpha.H)-dione
SpectraBase Compound ID 7SMkrV8OB62
InChI InChI=1S/C13H18O4/c1-16-10-5-2-7-6-11(15)17-13(7)12-8(10)3-4-9(12)14/h7-8,10,12-13H,2-6H2,1H3/t7-,8-,10+,12+,13-/m1/s1
InChIKey KZSQXHZGFMXDMQ-ZIDZYHNGSA-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 FEvdQ694RgY
Name 6-Methoxy-3a.alpha.,4,5,6.alpha.,6a.alpha.,7,8,9b.beta.-octahydroazuleno(4,5-b)furan-2-(3H),9(9a.alpha.H)-dione
Alternate Name(s) (3aR,6S,6aS,9aR,9bR)-6-methoxydecahydroazuleno[4,5-b]furan-2,9-dione
CAS Registry Number 93111-92-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-16-10-5-2-7-6-11(15)17-13(7)12-8(10)3-4-9(12)14/h7-8,10,12-13H,2-6H2,1H3/t7-,8-,10+,12+,13-/m1/s1
InChIKey KZSQXHZGFMXDMQ-ZIDZYHNGSA-N
Molecular Weight 238.283 g/mol
SMILES [C@@]12([C@]3([C@](CCC3=O)([C@@](OC)(CC[C@@]1(CC(O2)=O)[H])[H])[H])[H])[H]
SPLASH splash10-0a59-5910000000-8a716afb22530e6bc8c8
Source of Spectrum C-106-8223-0
Wiley ID 1240482