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Coniochaetone A

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

Coniochaetone A
SpectraBase Compound ID 2QKya0mHIjH
InChI InChI=1S/C13H10O4/c1-6-4-8(15)12-10(5-6)17-9-3-2-7(14)11(9)13(12)16/h4-5,15H,2-3H2,1H3
InChIKey TWADCDOVRHDLAF-UHFFFAOYSA-N
Mol Weight 230.22 g/mol
Molecular Formula C13H10O4
Exact Mass 230.057909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JgAZGIHLlBl
Name Coniochaetone A
Alternate Name(s) 8-Hydroxy-6-methyl-2,3-dihydrocyclopenta[b][1]benzopyran-1,9-dione 8-Hydroxy-6-methyl-2,3-dihydrocyclopenta[b]chromene-1,9-dione 6-Methyl-8-oxidanyl-2,3-dihydrocyclopenta[b]chromene-1,9-dione
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Formula C13H10O4
InChI InChI=1S/C13H10O4/c1-6-4-8(15)12-10(5-6)17-9-3-2-7(14)11(9)13(12)16/h4-5,15H,2-3H2,1H3
InChIKey TWADCDOVRHDLAF-UHFFFAOYSA-N
Molecular Weight 230.219 g/mol
SMILES Oc1c2C(C3=C(Oc2cc(C)c1)CCC3=O)=O
SPLASH splash10-0f89-1390000000-60fd3b8108cc0673e939
Source of Spectrum AT-36-5850-1
Wiley ID 853274