SpectraBase Spectrum ID |
HfWjmJMRLRx |
Name |
Methyl hydrogen 2-[(1',4'-dimethoxy-9',10'-dioxo-9',10'-dihydroanthracen-2'-yl)methylene]butanedioate |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
412.115817596 u |
Formula |
C22H20O8 |
InChI |
InChI=1S/C22H20O8/c1-28-15-9-11(8-12(22(26)27)10-16(23)29-2)21(30-3)18-17(15)19(24)13-6-4-5-7-14(13)20(18)25/h4-7,9,12H,8,10H2,1-3H3,(H,26,27) |
InChIKey |
IGIRVMJJHHJASI-UHFFFAOYSA-N |
Molecular Weight |
412.394 g/mol |
SMILES |
C12=C(C(=O)C3=C(C2=O)C=CC=C3)C(OC)=C(C=C1OC)CC(C(=O)O)CC(=O)OC |