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Ethylene glycol ketal of 2-acetyl-7-(o-hydroxybenzoyl)-1,2-dihydronaphtho-5,8-quinone
SpectraBase Compound ID FDhj4hkzXOE
InChI InChI=1S/C21H18O6/c1-21(26-8-9-27-21)12-6-7-13-15(10-12)20(25)16(11-18(13)23)19(24)14-4-2-3-5-17(14)22/h2-7,11-12,22H,8-10H2,1H3
InChIKey PLSINLXWLUENEU-UHFFFAOYSA-N
Mol Weight 366.37 g/mol
Molecular Formula C21H18O6
Exact Mass 366.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A2rjR3pUNBF
Name Ethylene glycol ketal of 2-acetyl-7-(o-hydroxybenzoyl)-1,2-dihydronaphtho-5,8-quinone
Alternate Name(s) 3-(2-hydroxybenzoyl)-6-(2-methyl-1,3-dioxolan-2-yl)-5,6-dihydro-1,4-naphthalenedione
CAS Registry Number 90623-94-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18O6
InChI InChI=1S/C21H18O6/c1-21(26-8-9-27-21)12-6-7-13-15(10-12)20(25)16(11-18(13)23)19(24)14-4-2-3-5-17(14)22/h2-7,11-12,22H,8-10H2,1H3
InChIKey PLSINLXWLUENEU-UHFFFAOYSA-N
Molecular Weight 366.369 g/mol
SMILES Oc1c(C(C=2C(C=3CC(C4(OCCO4)C)C=CC3C(C2)=O)=O)=O)cccc1
SPLASH splash10-000i-9013000000-001f791a1d3cb3e9e887
Source of Spectrum J-49-2855-0
Wiley ID 1351994