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Isohinokinin

View entire compound with spectra: 1 MS (GC)

Isohinokinin
SpectraBase Compound ID DbKY1ovnoxR
InChI InChI=1S/C20H18O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15H,5-6,9-11H2/t14-,15-/m0/s1
InChIKey DDWGQGZPYDSYEL-GJZGRUSLSA-N
Mol Weight 354.36 g/mol
Molecular Formula C20H18O6
Exact Mass 354.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Brs5TN6JMNx
Name Isohinokinin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18O6
InChI InChI=1S/C20H18O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15H,5-6,9-11H2/t14-,15-/m0/s1
InChIKey DDWGQGZPYDSYEL-GJZGRUSLSA-N
Molecular Weight 354.358 g/mol
SMILES C1([C@]([C@@](Cc2cc3OCOc3cc2)(CO1)[H])(Cc1cc2OCOc2cc1)[H])=O
SPLASH splash10-000i-2901000000-f3475b46560f17c0448f
Source of Spectrum X2-47-338-2
Synonyms (3S,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)-2-oxolanone (3S,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)tetrahydrofuran-2-one (3S,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)oxolan-2-one
Wiley ID 1601422