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DIHYDROCALYTHROPSIN
SpectraBase Compound ID 23vel9e5Rgi
InChI InChI=1S/C16H16O5/c1-21-11-4-5-12(15(19)9-11)13(17)6-2-10-3-7-14(18)16(20)8-10/h3-5,7-9,18-20H,2,6H2,1H3
InChIKey DLFRZAUWKODFLD-UHFFFAOYSA-N
Mol Weight 288.3 g/mol
Molecular Formula C16H16O5
Exact Mass 288.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DzcOe95BW77
Name 3-(3,4-dihydroxyphenyl)-1-(2-hydroxy-4-methoxy-phenyl)propan-1-one
Alternate Name(s) 3-(3,4-dihydroxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)-1-propanone 3-[3,4-bis(oxidanyl)phenyl]-1-(4-methoxy-2-oxidanyl-phenyl)propan-1-one
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Formula C16H16O5
InChI InChI=1S/C16H16O5/c1-21-11-4-5-12(15(19)9-11)13(17)6-2-10-3-7-14(18)16(20)8-10/h3-5,7-9,18-20H,2,6H2,1H3
InChIKey DLFRZAUWKODFLD-UHFFFAOYSA-N
Molecular Weight 288.299 g/mol
SMILES Oc1c(C(CCc2ccc(c(c2)O)O)=O)ccc(c1)OC
SPLASH splash10-0udi-0920000000-64c282f445ff043cf2ae
Source of Spectrum X2-56-1721-2
Wiley ID 1605139