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1,4-Naphthoquinone, 6-acetyl-2,5-dihydroxy-
SpectraBase Compound ID C21oaoQdCYU
InChI InChI=1S/C12H8O5/c1-5(13)6-2-3-7-10(12(6)17)8(14)4-9(15)11(7)16/h2-4,15,17H,1H3
InChIKey BWJNGOYFTXJBNB-UHFFFAOYSA-N
Mol Weight 232.19 g/mol
Molecular Formula C12H8O5
Exact Mass 232.037173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jq1c7UuiApj
Name 1,4-Naphthoquinone, 6-acetyl-2,5-dihydroxy-
CAS Registry Number 13378-90-0
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8O5
InChI InChI=1S/C12H8O5/c1-5(13)6-2-3-7-10(12(6)17)8(14)4-9(15)11(7)16/h2-4,15,17H,1H3
InChIKey BWJNGOYFTXJBNB-UHFFFAOYSA-N
Molecular Weight 232.191 g/mol
SMILES Oc1c2c(C(C(=CC2=O)O)=O)ccc1C(C)=O
SPLASH splash10-0159-4290000000-9a9301c953237d348b4c
Source of Spectrum SD-1981-0-0
Synonyms 6-Acetyl-2,5-dihydroxynaphthoquinone
Wiley ID 1233531