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1-Hydroxy-3-(2''-methoxypropyl)-2-(2'-methylprop-2'-enyl)anthraquinone

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

1-Hydroxy-3-(2''-methoxypropyl)-2-(2'-methylprop-2'-enyl)anthraquinone
SpectraBase Compound ID BQLT4q2IXPA
InChI InChI=1S/C22H22O4/c1-12(2)9-17-14(10-13(3)26-4)11-18-19(22(17)25)21(24)16-8-6-5-7-15(16)20(18)23/h5-8,11,13,25H,1,9-10H2,2-4H3
InChIKey MGOBEHKLAYHAQV-UHFFFAOYSA-N
Mol Weight 350.41 g/mol
Molecular Formula C22H22O4
Exact Mass 350.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DjWKLzhPe53
Name 1-Hydroxy-3-(2''-methoxypropyl)-2-(2'-methylprop-2'-enyl)anthraquinone
Alternate Name(s) 1-Hydroxy-3-(2''-methoxypropyl)-2-(2'-methylprop-2'-enyl)anthraquinone 1-Hydroxy-3-(2-methoxypropyl)-2-(2-methyl-2-propenyl)anthra-9,10-quinone
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Formula C22H22O4
InChI InChI=1S/C22H22O4/c1-12(2)9-17-14(10-13(3)26-4)11-18-19(22(17)25)21(24)16-8-6-5-7-15(16)20(18)23/h5-8,11,13,25H,1,9-10H2,2-4H3
InChIKey MGOBEHKLAYHAQV-UHFFFAOYSA-N
Molecular Weight 350.414 g/mol
SMILES Oc1c2c(C(=O)c3c(C2=O)cccc3)cc(c1CC(=C)C)CC(OC)C
SPLASH splash10-0fr6-0059000000-f585d35c3cf9f209ab6a
Source of Spectrum B-46-37-0
Wiley ID 1342198