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2-[3-(dichloromethyl)-3-hydroxy-pentyl]-1,4-dihydroxy-8-methoxy-9,10-anthraquinone
SpectraBase Compound ID 8lCckaA1bQp
InChI InChI=1S/C21H20Cl2O6/c1-3-21(28,20(22)23)8-7-10-9-12(24)15-16(17(10)25)19(27)14-11(18(15)26)5-4-6-13(14)29-2/h4-6,9,20,24-25,28H,3,7-8H2,1-2H3
InChIKey ACUVUERAWJUZOA-UHFFFAOYSA-N
Mol Weight 439.29 g/mol
Molecular Formula C21H20Cl2O6
Exact Mass 438.063694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Pc4NzfIkfY
Name 2-[3-(dichloromethyl)-3-hydroxy-pentyl]-1,4-dihydroxy-8-methoxy-9,10-anthraquinone
CAS Registry Number 95384-70-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20Cl2O6
InChI InChI=1S/C21H20Cl2O6/c1-3-21(28,20(22)23)8-7-10-9-12(24)15-16(17(10)25)19(27)14-11(18(15)26)5-4-6-13(14)29-2/h4-6,9,20,24-25,28H,3,7-8H2,1-2H3
InChIKey ACUVUERAWJUZOA-UHFFFAOYSA-N
Molecular Weight 439.291 g/mol
SMILES Oc1c2c(c(cc1CCC(C(Cl)Cl)(O)CC)O)C(c1c(C2=O)c(ccc1)OC)=O
SPLASH splash10-052s-0079700000-ca9ae415babf4c1c98ff
Source of Spectrum F-40-4613-0
Synonyms 2-[3-(dichloromethyl)-3-hydroxy-pentyl]-1,4-dihydroxy-8-methoxy-anthracene-9,10-dione 2-[3-[bis(chloranyl)methyl]-3-oxidanyl-pentyl]-8-methoxy-1,4-bis(oxidanyl)anthracene-9,10-dione
Wiley ID 1384046