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1-Bromo-2-hydroxymethyl-4,5-diisopropoxyanthraquinone
SpectraBase Compound ID C8qhE1Bv9GB
InChI InChI=1S/C21H21BrO5/c1-10(2)26-14-7-5-6-13-16(14)21(25)17-15(27-11(3)4)8-12(9-23)19(22)18(17)20(13)24/h5-8,10-11,23H,9H2,1-4H3
InChIKey LTYKODMFJQMPQI-UHFFFAOYSA-N
Mol Weight 433.3 g/mol
Molecular Formula C21H21BrO5
Exact Mass 432.057237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4bw3H1YCoK
Name 1-Bromo-2-hydroxymethyl-4,5-diisopropoxyanthraquinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21BrO5
InChI InChI=1S/C21H21BrO5/c1-10(2)26-14-7-5-6-13-16(14)21(25)17-15(27-11(3)4)8-12(9-23)19(22)18(17)20(13)24/h5-8,10-11,23H,9H2,1-4H3
InChIKey LTYKODMFJQMPQI-UHFFFAOYSA-N
Molecular Weight 433.298 g/mol
SMILES OCc1c(c2c(c(c1)OC(C)C)C(=O)c1c(cccc1C2=O)OC(C)C)Br
SPLASH splash10-0frg-0019000000-195283d685d923439b73
Source of Spectrum J-67-5606-33
Synonyms 1-Bromo-2-(hydroxymethyl)-4,5-diisopropoxyanthra-9,10-quinone
Wiley ID 1570521