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1,4-Naphthalenedione, 2-[(2,4-dimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)methyl]-3-methyl-
SpectraBase Compound ID DMzvJMyHd5P
InChI InChI=1S/C20H16O4/c1-10-8-17(21)15(11(2)18(10)22)9-16-12(3)19(23)13-6-4-5-7-14(13)20(16)24/h4-8H,9H2,1-3H3
InChIKey DMLDNHAKOAISKL-UHFFFAOYSA-N
Mol Weight 320.34 g/mol
Molecular Formula C20H16O4
Exact Mass 320.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EzELSxnzsAq
Name 1,4-Naphthalenedione, 2-[(2,4-dimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)methyl]-3-methyl-
CAS Registry Number 61833-49-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16O4
InChI InChI=1S/C20H16O4/c1-10-8-17(21)15(11(2)18(10)22)9-16-12(3)19(23)13-6-4-5-7-14(13)20(16)24/h4-8H,9H2,1-3H3
InChIKey DMLDNHAKOAISKL-UHFFFAOYSA-N
Molecular Weight 320.344 g/mol
SMILES C1(=C(C(=O)c2c(C1=O)cccc2)C)CC1=C(C(=O)C(=CC1=O)C)C
SPLASH splash10-05fr-0039000000-7dab8b942bfbd55f74d9
Source of Spectrum KC-1976-2069-0
Synonyms 2-[(2,4-dimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)methyl]-3-methylnaphthoquinone 3-Methyl-2-(3,5-dimethyl-1,4-benzoquinon-2-ylmethyl)-1,4-naphthoquinone
Wiley ID 1320314