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6-Acetyl-5-hydroxy-2-methoxy-7-methyl-naphthalene-1,4-dione
SpectraBase Compound ID 9FfN68IVDGm
InChI InChI=1S/C14H12O5/c1-6-4-8-12(14(18)11(6)7(2)15)9(16)5-10(19-3)13(8)17/h4-5,18H,1-3H3
InChIKey SSHJHOVVYKCJJI-UHFFFAOYSA-N
Mol Weight 260.24 g/mol
Molecular Formula C14H12O5
Exact Mass 260.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FvJV5uf30VD
Name 1,4-Naphthalenedione, 6-acetyl-5-hydroxy-2-methoxy-7-methyl-
CAS Registry Number 85122-21-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12O5
InChI InChI=1S/C14H12O5/c1-6-4-8-12(14(18)11(6)7(2)15)9(16)5-10(19-3)13(8)17/h4-5,18H,1-3H3
InChIKey SSHJHOVVYKCJJI-UHFFFAOYSA-N
Molecular Weight 260.245 g/mol
SMILES Oc1c2c(C(=O)C(=CC2=O)OC)cc(c1C(=O)C)C
SPLASH splash10-01ot-0290000000-5b01a704901e8d38db20
Source of Spectrum KC-1989-451-1
Synonyms 2-Methoxystypandrone 6-Acetyl-5-hydroxy-2-methoxy-7-methyl-1,4-naphthoquinone 6-Acetyl-5-hydroxy-2-methoxy-7-methyl-naphthalene-1,4-dione 6-Ethanoyl-2-methoxy-7-methyl-5-oxidanyl-naphthalene-1,4-dione
Wiley ID 1263578