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Dehydroherbarin

View entire compound with spectra: 1 MS (GC)

Dehydroherbarin
SpectraBase Compound ID 4mmK4wzd0Fl
InChI InChI=1S/C16H14O5/c1-8-4-10-12(7-21-8)16(18)14-11(15(10)17)5-9(19-2)6-13(14)20-3/h4-6H,7H2,1-3H3
InChIKey ITUSOEBAIVROCD-UHFFFAOYSA-N
Mol Weight 286.28 g/mol
Molecular Formula C16H14O5
Exact Mass 286.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1cwecQDgrVC
Name Dehydroherbarin
Alternate Name(s) 7,9-Dimethoxy-3-methyl-1H-benzo[g][2]benzopyran-5,10-dione 7,9-Dimethoxy-3-methyl-1H-benzo[g]isochromene-5,10-dione
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Formula C16H14O5
InChI InChI=1S/C16H14O5/c1-8-4-10-12(7-21-8)16(18)14-11(15(10)17)5-9(19-2)6-13(14)20-3/h4-6H,7H2,1-3H3
InChIKey ITUSOEBAIVROCD-UHFFFAOYSA-N
Molecular Weight 286.283 g/mol
SMILES C12=C(C(=O)c3c(C2=O)cc(cc3OC)OC)COC(=C1)C
SPLASH splash10-00dr-0090000000-3463b20b1a57b8cca3c2
Source of Spectrum J-65-643-7
Wiley ID 1531999