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1,4-Naphthalenedione, 3-[(1,4-dihydro-5-hydroxy-1,4-dioxo-2-naphthalenyl)methyl]-5-hydroxy- 2-methyl-
SpectraBase Compound ID 3XQamDtt6PR
InChI InChI=1S/C22H14O6/c1-10-14(22(28)19-13(20(10)26)5-3-7-16(19)24)8-11-9-17(25)18-12(21(11)27)4-2-6-15(18)23/h2-7,9,23-24H,8H2,1H3
InChIKey CEBZDZOZLNOOFL-UHFFFAOYSA-N
Mol Weight 374.35 g/mol
Molecular Formula C22H14O6
Exact Mass 374.079038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B9979ho7LEw
Name 1,4-Naphthalenedione, 3-[(1,4-dihydro-5-hydroxy-1,4-dioxo-2-naphthalenyl)methyl]-5-hydroxy- 2-methyl-
CAS Registry Number 58969-28-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H14O6
InChI InChI=1S/C22H14O6/c1-10-14(22(28)19-13(20(10)26)5-3-7-16(19)24)8-11-9-17(25)18-12(21(11)27)4-2-6-15(18)23/h2-7,9,23-24H,8H2,1H3
InChIKey CEBZDZOZLNOOFL-UHFFFAOYSA-N
Molecular Weight 374.348 g/mol
SMILES Oc1c2C(C(CC3=CC(c4c(cccc4C3=O)O)=O)=C(C(c2ccc1)=O)C)=O
SPLASH splash10-00di-0009000000-681192a0238dc4e128ae
Source of Spectrum E2-50-592-10
Synonyms 5-Hydroxy-3-[(5-hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)methyl]-2-methylnaphthoquinone Isozeylanone Isozeylinone
Wiley ID 1555832