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Coumestrol
SpectraBase Compound ID 9O4aGk9T7HQ
InChI InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H
InChIKey ZZIALNLLNHEQPJ-UHFFFAOYSA-N
Mol Weight 268.22 g/mol
Molecular Formula C15H8O5
Exact Mass 268.037173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 42X2QMQFVRf
Name Coumestrol
Comments (unverified)
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Formula C15H8O5
InChI InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H
InChIKey ZZIALNLLNHEQPJ-UHFFFAOYSA-N
SMILES Oc1ccc-2c(OC(c3c2oc2c3ccc(c2)O)=O)c1
SPLASH splash10-014i-2390000000-132b30654555c1061cad
Source of Spectrum Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences