| SpectraBase Spectrum ID |
D3FthaiYK4 |
| Name |
3-(4-Methoxyphenyl)-1-methyl-1H-benzo[G]isochromene-5,10-quinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.104858991 u |
| Formula |
C21H16O4 |
| InChI |
InChI=1S/C21H16O4/c1-12-19-17(20(22)15-5-3-4-6-16(15)21(19)23)11-18(25-12)13-7-9-14(24-2)10-8-13/h3-12H,1-2H3 |
| InChIKey |
DFIQSQKPAPQLHB-UHFFFAOYSA-N |
| Molecular Weight |
332.355 g/mol |
| SMILES |
C=1(OC)C=CC(C2=CC3=C(C(C=4C=CC=CC4C3=O)=O)C(O2)C)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.814706 |
![3-(4-methoxyphenyl)-1-methyl-1H-benzo[g]isochromene-5,10-quinone](/api/spectrum/D3FthaiYK4/structure.png?h=300&w=458 "3-(4-methoxyphenyl)-1-methyl-1H-benzo[g]isochromene-5,10-quinone")
