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Notholaenic acid
SpectraBase Compound ID 9vME6PHgCyO
InChI InChI=1S/C17H18O5/c1-21-13-7-4-11(5-8-13)3-6-12-9-14(22-2)10-15(18)16(12)17(19)20/h4-5,7-10,18H,3,6H2,1-2H3,(H,19,20)
InChIKey QTSHPXKETKYZMV-UHFFFAOYSA-N
Mol Weight 302.33 g/mol
Molecular Formula C17H18O5
Exact Mass 302.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2sfFhtKLWb2
Name Notholaenic acid
Comments Less than 3 mono-isotopic peaks
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Formula C17H18O5
InChI InChI=1S/C17H18O5/c1-21-13-7-4-11(5-8-13)3-6-12-9-14(22-2)10-15(18)16(12)17(19)20/h4-5,7-10,18H,3,6H2,1-2H3,(H,19,20)
InChIKey QTSHPXKETKYZMV-UHFFFAOYSA-N
Molecular Weight 302.326 g/mol
SMILES Oc1c(C(=O)O)c(cc(c1)OC)CCc1ccc(cc1)OC
SPLASH splash10-00di-0901000000-700331166b1b32dfbb85
Source of Spectrum X2-48-297-1
Synonyms 4-methoxy-2-[2-(4-methoxyphenyl)ethyl]-6-oxidanyl-benzoic acid
Wiley ID 1601663