| SpectraBase Spectrum ID |
4c6JoATBPtc |
| Name |
3-Acetyl-4-(4-hydroxy-3-methoxyphenyl)-2(5H)-furanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.068473481 u |
| Formula |
C13H12O5 |
| InChI |
InChI=1S/C13H12O5/c1-7(14)12-9(6-18-13(12)16)8-3-4-10(15)11(5-8)17-2/h3-5,15H,6H2,1-2H3 |
| InChIKey |
ULTWKORORDEMCL-UHFFFAOYSA-N |
| Molecular Weight |
248.234 g/mol |
| SMILES |
OC=1C(=CC(=CC1)C1=C(C(OC1)=O)C(C)=O)OC |
| Spectrum/Structure Validation Score (Raman) |
0.972908 |
