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1,5-dihydroxy-2-(2'-methylprop-2'-enyl)-6-(prop-2''-enyl)-9,10-anthraquinone

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

1,5-dihydroxy-2-(2'-methylprop-2'-enyl)-6-(prop-2''-enyl)-9,10-anthraquinone
SpectraBase Compound ID 8rpZQ5X5HHY
InChI InChI=1S/C21H18O4/c1-4-5-12-6-8-14-16(18(12)22)20(24)15-9-7-13(10-11(2)3)19(23)17(15)21(14)25/h4,6-9,22-23H,1-2,5,10H2,3H3
InChIKey IWNOGODQFKRGEY-UHFFFAOYSA-N
Mol Weight 334.37 g/mol
Molecular Formula C21H18O4
Exact Mass 334.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3keudoJ6Lg
Name 1,5-dihydroxy-2-(2'-methylprop-2'-enyl)-6-(prop-2''-enyl)-9,10-anthraquinone
Alternate Name(s) 1,5-Dihydroxy-2-(2'-methylprop-2'-enyl)-6-(prop-2''-enyl)-9,10-anthraquinone 2-allyl-1,5-dihydroxy-6-(2-methyl-2-propenyl)anthra-9,10-quinone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18O4
InChI InChI=1S/C21H18O4/c1-4-5-12-6-8-14-16(18(12)22)20(24)15-9-7-13(10-11(2)3)19(23)17(15)21(14)25/h4,6-9,22-23H,1-2,5,10H2,3H3
InChIKey IWNOGODQFKRGEY-UHFFFAOYSA-N
Molecular Weight 334.371 g/mol
SMILES Oc1c2c(C(c3c(c(ccc3C2=O)CC=C)O)=O)ccc1CC(=C)C
SPLASH splash10-00lr-0009000000-02adeb89b8654bbcd515
Source of Spectrum B-47-1321-0
Wiley ID 1331198