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LETESTUIANIN-C
SpectraBase Compound ID H8kibBS4wOW
InChI InChI=1S/C19H20O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-4,7-10,20-21H,5-6,11-13H2
InChIKey KTRRXJQAOOYSDA-UHFFFAOYSA-N
Mol Weight 312.37 g/mol
Molecular Formula C19H20O4
Exact Mass 312.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EhKtVWG8Nff
Name 1,7-Bis(4-hydroxyphenyl)heptan-3,5-dione
Alternate Name(s) Letestuianin C
Appearance Yellowish oil
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Formula C19H20O4
InChI InChI=1S/C19H20O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-4,7-10,20-21H,5-6,11-13H2
InChIKey KTRRXJQAOOYSDA-UHFFFAOYSA-N
Instrument Name JEOL SX102
Ionization Type EI
Literature Reference DOI 10.1021/np020362f
Molecular Weight 312.365 g/mol
Reported Formula C19H20O4
SMILES Oc1ccc(CCC(CC(CCc2ccc(cc2)O)=O)=O)cc1
SPLASH splash10-0a4i-0902000000-0849f271603cdff506fb
Source of Spectrum G4-66-366-3
Wiley ID 1881255