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Isoelliptone
SpectraBase Compound ID 2z8t7ecreZe
InChI InChI=1S/C20H16O6/c1-22-16-6-11-14(8-17(16)23-2)25-9-18-19(11)20(21)12-5-10-3-4-24-13(10)7-15(12)26-18/h3-8,18-19H,9H2,1-2H3
InChIKey QDVCTVPRLKNDMC-UHFFFAOYSA-N
Mol Weight 352.34 g/mol
Molecular Formula C20H16O6
Exact Mass 352.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CUovN3HQAjT
Name Isoelliptone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16O6
InChI InChI=1S/C20H16O6/c1-22-16-6-11-14(8-17(16)23-2)25-9-18-19(11)20(21)12-5-10-3-4-24-13(10)7-15(12)26-18/h3-8,18-19H,9H2,1-2H3
InChIKey QDVCTVPRLKNDMC-UHFFFAOYSA-N
Molecular Weight 352.342 g/mol
SMILES C1(C2c3c(cc(c(c3)OC)OC)OCC2Oc2c1cc1c(occ1)c2)=O
SPLASH splash10-0006-0901000000-401bedcac9d8f1e0fb03
Source of Spectrum KK-63-5950-6
Wiley ID 1343247