Debug Info

object
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_id
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6urFc5VrpoD
spectrumID
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6urFc5VrpoD
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131072
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Mass Spectrum (GC)
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1,4-Naphthoquinone, 6-acetyl-2,5,7-trihydroxy-
SpectraBase Compound ID GcDdvNFJnHu
InChI InChI=1S/C12H8O6/c1-4(13)9-6(14)2-5-10(12(9)18)7(15)3-8(16)11(5)17/h2-3,14,16,18H,1H3
InChIKey IXQAWUYRVRFUFI-UHFFFAOYSA-N
Mol Weight 248.19 g/mol
Molecular Formula C12H8O6
Exact Mass 248.032088 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6urFc5VrpoD
Name 1,4-Naphthoquinone, 6-acetyl-2,5,7-trihydroxy-
CAS Registry Number 13378-89-7
Comments Structure changed after expert review
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8O6
InChI InChI=1S/C12H8O6/c1-4(13)9-6(14)2-5-10(12(9)18)7(15)3-8(16)11(5)17/h2-3,14,16,18H,1H3
InChIKey IXQAWUYRVRFUFI-UHFFFAOYSA-N
Molecular Weight 248.190 g/mol
SMILES Oc1c2c(C(C(=CC2=O)O)=O)cc(c1C(C)=O)O
SPLASH splash10-001m-9380000000-641d4bc287d25ea13d47
Source of Spectrum T-66-1000-0
Synonyms 6-Acetyl-2,5,7-trihydroxynaphthoquinone 6-Ethanoyl-5,7-bis(oxidanyl)naphthalene-1,2,4-trione 6-Acetyl-5,7-dihydroxy-tetralin-1,2,4-trione
Wiley ID 1250703
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