| SpectraBase Spectrum ID |
KWMTKjBdqQs |
| Name |
2,5,6-Trimethyl-2-phenyl-3H-1-benzofuran-4,7-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.109944372 u |
| Formula |
C17H16O3 |
| InChI |
InChI=1S/C17H16O3/c1-10-11(2)15(19)16-13(14(10)18)9-17(3,20-16)12-7-5-4-6-8-12/h4-8H,9H2,1-3H3 |
| InChIKey |
AWSGKJBUKODJMU-UHFFFAOYSA-N |
| Molecular Weight |
268.312 g/mol |
| SMILES |
C12=C(C(=O)C(=C(C2=O)C)C)OC(C1)(C1=CC=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926086 |
