For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-(2'-Carbomethoxymethyl-3'-oxobutyl)-1,4-dimethoxyanthraquinone
SpectraBase Compound ID DeJsGGvIQXI
InChI InChI=1S/C23H22O7/c1-12(24)13(11-18(25)29-3)9-14-10-17(28-2)19-20(23(14)30-4)22(27)16-8-6-5-7-15(16)21(19)26/h5-8,10,13H,9,11H2,1-4H3
InChIKey YENVGOYEGUIIBT-UHFFFAOYSA-N
Mol Weight 410.42 g/mol
Molecular Formula C23H22O7
Exact Mass 410.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID EXSZ1O4Enpf
Name 2-(2'-Carbomethoxymethyl-3'-oxobutyl)-1,4-dimethoxyanthraquinone
Alternate Name(s) Methyl 3-[(1,4-dimethoxy-9,10-dioxo-9,10-dihydro-2-anthracenyl)methyl]-4-oxopentanoate
CAS Registry Number 67408-49-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22O7
InChI InChI=1S/C23H22O7/c1-12(24)13(11-18(25)29-3)9-14-10-17(28-2)19-20(23(14)30-4)22(27)16-8-6-5-7-15(16)21(19)26/h5-8,10,13H,9,11H2,1-4H3
InChIKey YENVGOYEGUIIBT-UHFFFAOYSA-N
Molecular Weight 410.422 g/mol
SMILES c12c(C(=O)c3c(C2=O)cccc3)c(OC)c(cc1OC)CC(C(=O)C)CC(=O)OC
SPLASH splash10-02t9-3709600000-0a4e8e592cc87bba2bd4
Source of Spectrum J-43-4164-0
Wiley ID 1373652