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1-HYDROXY-2-(2'-METHYLPROP-2'-ENYL)-3-(PROP-1''-ENYL)-ANTHRAQUINONE
SpectraBase Compound ID 9Bl4MKCz7Zx
InChI InChI=1S/C21H18O3/c1-4-7-13-11-17-18(21(24)16(13)10-12(2)3)20(23)15-9-6-5-8-14(15)19(17)22/h4-9,11,24H,2,10H2,1,3H3/b7-4+
InChIKey WJITWOLINMRQOR-QPJJXVBHSA-N
Mol Weight 318.37 g/mol
Molecular Formula C21H18O3
Exact Mass 318.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EtQJbvx5yAE
Name 1-Hydroxy-2-(2'-methylprop-2'-enyl)-3-(prop-1"-enyl)anthraquinone
Alternate Name(s) 1-Hydroxy-2-(2-methyl-2-propenyl)-3-[(1E)-1-propenyl]anthra-9,10-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18O3
InChI InChI=1S/C21H18O3/c1-4-7-13-11-17-18(21(24)16(13)10-12(2)3)20(23)15-9-6-5-8-14(15)19(17)22/h4-9,11,24H,2,10H2,1,3H3/b7-4+
InChIKey WJITWOLINMRQOR-QPJJXVBHSA-N
Molecular Weight 318.372 g/mol
SMILES Oc1c2c(C(=O)c3c(C2=O)cccc3)cc(c1CC(=C)C)\C=C\C
SPLASH splash10-0ftr-0097000000-8d0e2b5a8e8ff752f5c0
Source of Spectrum B-52-790-23
Wiley ID 810885