| SpectraBase Spectrum ID |
4fWU3I34rd0 |
| Name |
1,5-Dimethoxy-2-(2'-oxopropyl)-6-(prop-1''-ynyl)-anthraquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.115423675 u |
| Formula |
C22H18O5 |
| InChI |
InChI=1S/C22H18O5/c1-5-6-13-7-9-15-17(21(13)26-3)19(24)16-10-8-14(11-12(2)23)22(27-4)18(16)20(15)25/h7-10H,11H2,1-4H3 |
| InChIKey |
OFSKPNVIKBSGCG-UHFFFAOYSA-N |
| Molecular Weight |
362.381 g/mol |
| SMILES |
C1(=O)C2=C(C(C3=C(C(C#CC)=CC=C13)OC)=O)C=CC(=C2OC)CC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.876517 |
