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1,4-Naphthoquinone, 6-acetyl-2,5,8-trihydroxy-
SpectraBase Compound ID 1o7ouZ6A5oM
InChI InChI=1S/C12H8O6/c1-4(13)5-2-6(14)10-9(11(5)17)7(15)3-8(16)12(10)18/h2-3,14,16-17H,1H3
InChIKey ASPLKXXVMVCZLL-UHFFFAOYSA-N
Mol Weight 248.19 g/mol
Molecular Formula C12H8O6
Exact Mass 248.032088 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8vcbHyO8gRU
Name 1,4-Naphthoquinone, 6-acetyl-2,5,8-trihydroxy-
CAS Registry Number 13379-24-3
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8O6
InChI InChI=1S/C12H8O6/c1-4(13)5-2-6(14)10-9(11(5)17)7(15)3-8(16)12(10)18/h2-3,14,16-17H,1H3
InChIKey ASPLKXXVMVCZLL-UHFFFAOYSA-N
Molecular Weight 248.190 g/mol
SMILES Oc1c2c(c(cc1C(C)=O)O)C(C(=CC2=O)O)=O
SPLASH splash10-000t-5290000000-7e1b8afa9c67ee7503f8
Source of Spectrum T-66-999-0
Synonyms 6-Acetyl-2,5,8-trihydroxynaphthoquinone 6-Ethanoyl-5,8-bis(oxidanyl)naphthalene-1,2,4-trione 6-Acetyl-5,8-dihydroxy-tetralin-1,2,4-trione
Wiley ID 34506