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Marchantinquinone

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Marchantinquinone
SpectraBase Compound ID K87XRY1i0Ob
InChI InChI=1S/C28H22O5/c29-24-14-15-26(31)28-23(24)12-8-18-6-10-21(11-7-18)32-27-17-20(9-13-25(27)30)5-4-19-2-1-3-22(16-19)33-28/h1-3,6-7,9-11,13-17,30H,4-5,8,12H2
InChIKey RZDIKGWHRSOWGG-UHFFFAOYSA-N
Mol Weight 438.48 g/mol
Molecular Formula C28H22O5
Exact Mass 438.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B16KSKjl8T2
Name Marchantinquinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H22O5
InChI InChI=1S/C28H22O5/c29-24-14-15-26(31)28-23(24)12-8-18-6-10-21(11-7-18)32-27-17-20(9-13-25(27)30)5-4-19-2-1-3-22(16-19)33-28/h1-3,6-7,9-11,13-17,30H,4-5,8,12H2
InChIKey RZDIKGWHRSOWGG-UHFFFAOYSA-N
Molecular Weight 438.479 g/mol
SMILES Oc1ccc2cc1Oc1ccc(CCC3=C(Oc4cc(CC2)ccc4)C(C=CC3=O)=O)cc1
SPLASH splash10-01p9-0150900000-76cd9ac94483fc4db1db
Source of Spectrum SO-0-1408-1
Wiley ID 877973