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Islandicine - triacetate
SpectraBase Compound ID C4gZOK97Yw
InChI InChI=1S/C21H16O8/c1-9-8-14(28-10(2)22)16-17(20(9)29-11(3)23)18(24)12-6-5-7-13(21(26)27-4)15(12)19(16)25/h5-8H,1-4H3
InChIKey OEFMOSITXRHGIK-UHFFFAOYSA-N
Mol Weight 396.35 g/mol
Molecular Formula C21H16O8
Exact Mass 396.084517 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AxpOk3mwvjC
Name Islandicine - triacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16O8
InChI InChI=1S/C21H16O8/c1-9-8-14(28-10(2)22)16-17(20(9)29-11(3)23)18(24)12-6-5-7-13(21(26)27-4)15(12)19(16)25/h5-8H,1-4H3
InChIKey OEFMOSITXRHGIK-UHFFFAOYSA-N
Molecular Weight 396.351 g/mol
SMILES c12c(C(=O)c3c(C2=O)cccc3C(=O)OC)c(OC(=O)C)cc(c1OC(=O)C)C
SPLASH splash10-00di-0092000000-69f3301e1b00da52f9c6
Source of Spectrum Y4-76-253-21
Synonyms 2 / 3-Methyl-1,4,5-triacetoxy-9,10-anthraquinone
Wiley ID 1512865