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2-(2'-Acetyl-2'-carbethoxymethyl-3'-oxobutyl)-1,4-dimethoxyanthraquinone
SpectraBase Compound ID G3Qd9iw4GQX
InChI InChI=1S/C26H26O8/c1-6-34-20(29)13-26(14(2)27,15(3)28)12-16-11-19(32-4)21-22(25(16)33-5)24(31)18-10-8-7-9-17(18)23(21)30/h7-11H,6,12-13H2,1-5H3
InChIKey VAXGKYIVIUSEGQ-UHFFFAOYSA-N
Mol Weight 466.49 g/mol
Molecular Formula C26H26O8
Exact Mass 466.162768 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GQOqEv6KZ6J
Name 2-(2'-Acetyl-2'-carbethoxymethyl-3'-oxobutyl)-1,4-dimethoxyanthraquinone
Alternate Name(s) Ethyl 3-acetyl-3-[(1,4-dimethoxy-9,10-dioxo-9,10-dihydro-2-anthracenyl)methyl]-4-oxopentanoate
CAS Registry Number 65127-10-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26O8
InChI InChI=1S/C26H26O8/c1-6-34-20(29)13-26(14(2)27,15(3)28)12-16-11-19(32-4)21-22(25(16)33-5)24(31)18-10-8-7-9-17(18)23(21)30/h7-11H,6,12-13H2,1-5H3
InChIKey VAXGKYIVIUSEGQ-UHFFFAOYSA-N
Molecular Weight 466.486 g/mol
SMILES c12c(C(=O)c3c(C2=O)cccc3)c(OC)c(cc1OC)CC(C(=O)C)(C(=O)C)CC(=O)OCC
SPLASH splash10-0006-8009200000-bbd0cb1c2040d9c65f51
Source of Spectrum J-43-4164-0
Wiley ID 1391960