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1,8-Dibomo-4,5-diisopropoxy-2-hydroxymethylanthraquinone
SpectraBase Compound ID 5H2y9Xp0VOo
InChI InChI=1S/C21H20Br2O5/c1-9(2)27-13-6-5-12(22)15-16(13)21(26)17-14(28-10(3)4)7-11(8-24)19(23)18(17)20(15)25/h5-7,9-10,24H,8H2,1-4H3
InChIKey CGOPSUYFYPFPEU-UHFFFAOYSA-N
Mol Weight 512.19 g/mol
Molecular Formula C21H20Br2O5
Exact Mass 509.96775 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I8gtsWfLilW
Name 1,8-Dibomo-4,5-diisopropoxy-2-hydroxymethylanthraquinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20Br2O5
InChI InChI=1S/C21H20Br2O5/c1-9(2)27-13-6-5-12(22)15-16(13)21(26)17-14(28-10(3)4)7-11(8-24)19(23)18(17)20(15)25/h5-7,9-10,24H,8H2,1-4H3
InChIKey CGOPSUYFYPFPEU-UHFFFAOYSA-N
Molecular Weight 512.194 g/mol
SMILES OCc1cc(c2c(C(=O)c3c(C2=O)c(OC(C)C)ccc3Br)c1Br)OC(C)C
SPLASH splash10-00or-0000900000-1490ba3982e85ef4796c
Source of Spectrum J-67-5606-0
Synonyms 1,8-Dibromo-2-(hydroxymethyl)-4,5-diisopropoxyanthra-9,10-quinone
Wiley ID 1570518