| SpectraBase Spectrum ID |
2oR4XKgjYGa |
| Name |
1H-Phenalen-1-one, 9-(3,4-dimethoxyphenyl)-2,4-dimethoxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.131073739 u |
| Formula |
C23H20O5 |
| InChI |
InChI=1S/C23H20O5/c1-25-17-9-6-13-5-8-15(14-7-10-18(26-2)19(11-14)27-3)22-21(13)16(17)12-20(28-4)23(22)24/h5-12H,1-4H3 |
| InChIKey |
KLIIIWKHARUUDD-UHFFFAOYSA-N |
| Molecular Weight |
376.408 g/mol |
| SMILES |
C=12C3=C(C(OC)=CC=C3C=CC1C=1C=C(OC)C(=CC1)OC)C=C(C2=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968955 |
