| SpectraBase Spectrum ID |
1SE17GFRMtr |
| Name |
Methanone, (3,4-dimethoxyphenyl)-(5-oxotetrahydrofuran-3-yl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.084123546 u |
| Formula |
C13H14O5 |
| InChI |
InChI=1S/C13H14O5/c1-16-10-4-3-8(5-11(10)17-2)13(15)9-6-12(14)18-7-9/h3-5,9H,6-7H2,1-2H3 |
| InChIKey |
MKWYWISNPJGVLR-UHFFFAOYSA-N |
| Molecular Weight |
250.250 g/mol |
| SMILES |
COC1=CC=C(C(=O)C2COC(=O)C2)C=C1OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942515 |
