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3-(2-Hydroxyethyl)plumbagin

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

3-(2-Hydroxyethyl)plumbagin
SpectraBase Compound ID 9g8A6Fa9PGI
InChI InChI=1S/C13H12O4/c1-7-8(5-6-14)13(17)11-9(12(7)16)3-2-4-10(11)15/h2-4,14-15H,5-6H2,1H3
InChIKey AJFLZDTWEGZZRX-UHFFFAOYSA-N
Mol Weight 232.23 g/mol
Molecular Formula C13H12O4
Exact Mass 232.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID iZ82Ypglk
Name 3-(2-Hydroxyethyl)plumbagin
Alternate Name(s) 5-Hydroxy-3-(2-hydroxyethyl)-2-methylnaphthalene-1,4-dione 5-Hydroxy-3-(2-hydroxyethyl)-2-methyl-naphthalene-1,4-dione 3-(2-hydroxyethyl)-2-methyl-5-oxidanyl-naphthalene-1,4-dione
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Formula C13H12O4
InChI InChI=1S/C13H12O4/c1-7-8(5-6-14)13(17)11-9(12(7)16)3-2-4-10(11)15/h2-4,14-15H,5-6H2,1H3
InChIKey AJFLZDTWEGZZRX-UHFFFAOYSA-N
Molecular Weight 232.235 g/mol
SMILES Oc1cccc2c1C(C(CCO)=C(C2=O)C)=O
SPLASH splash10-0w90-1490000000-4efc83b1e43d8d6b208c
Source of Spectrum E2-46-1192-3
Wiley ID 1554527