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3-Carbethoxy-5,7,12,14-tetrahydroxy-6,13-dioxopentacene
SpectraBase Compound ID EftNqZTCW84
InChI InChI=1S/C25H16O8/c1-2-33-25(32)10-7-8-13-14(9-10)22(29)18-17(21(13)28)23(30)15-16(24(18)31)20(27)12-6-4-3-5-11(12)19(15)26/h3-9,26-29H,2H2,1H3
InChIKey ZOTDHPSRRPBRPX-UHFFFAOYSA-N
Mol Weight 444.4 g/mol
Molecular Formula C25H16O8
Exact Mass 444.084517 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K2NKkSjuyGW
Name 3-Carbethoxy-5,7,12,14-tetrahydroxy-6,13-dioxopentacene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H16O8
InChI InChI=1S/C25H16O8/c1-2-33-25(32)10-7-8-13-14(9-10)22(29)18-17(21(13)28)23(30)15-16(24(18)31)20(27)12-6-4-3-5-11(12)19(15)26/h3-9,26-29H,2H2,1H3
InChIKey ZOTDHPSRRPBRPX-UHFFFAOYSA-N
Molecular Weight 444.395 g/mol
SMILES Oc1c2c(c(c3c1C(c1c(c(c4c(c1O)ccc(c4)C(=O)OCC)O)C3=O)=O)O)cccc2
SPLASH splash10-00kf-0000900000-0c1c8ab012124c693a34
Source of Spectrum IC-1177-0-0
Synonyms Ethyl 5,7,12,14-tetrahydroxy-6,13-dioxo-6,13-dihydro-2-pentacenecarboxylate
Wiley ID 1386015