| SpectraBase Spectrum ID |
2VuelLOjfhd |
| Name |
6',7'-Dimethoxy-4'-oxo-1',2',3',4'-tetrahydro-1'-acetonaphthone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.104858991 u |
| Formula |
C14H16O4 |
| InChI |
InChI=1S/C14H16O4/c1-8(15)9-4-5-12(16)11-7-14(18-3)13(17-2)6-10(9)11/h6-7,9H,4-5H2,1-3H3 |
| InChIKey |
UUQUAUYQTWFQTH-UHFFFAOYSA-N |
| Molecular Weight |
248.278 g/mol |
| SMILES |
C=12C=C(C(=CC1C(CCC2C(=O)C)=O)OC)OC |
| Spectrum/Structure Validation Score (Raman) |
0.989214 |
