| SpectraBase Spectrum ID |
4a7g3qI6OoB |
| Name |
1-(2'-Methylprop-2'-enyloxy)-4-(prop-2''-enyloxy)-anthraquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.120509056 u |
| Formula |
C21H18O4 |
| InChI |
InChI=1S/C21H18O4/c1-4-11-24-16-9-10-17(25-12-13(2)3)19-18(16)20(22)14-7-5-6-8-15(14)21(19)23/h4-10H,1-2,11-12H2,3H3 |
| InChIKey |
BRZPTRBDTZMEFD-UHFFFAOYSA-N |
| Molecular Weight |
334.371 g/mol |
| SMILES |
C1(=O)C=2C(=CC=C(OCC(=C)C)C2C(C=2C1=CC=CC2)=O)OCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844504 |
