| SpectraBase Spectrum ID |
2W2g5IPMWma |
| Name |
1-(1,3-Benzodioxol-5-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.029643190 u |
| Formula |
C10H7F3O4 |
| InChI |
InChI=1S/C10H7F3O4/c11-10(12,13)9(15)8(14)5-1-2-6-7(3-5)17-4-16-6/h1-3,9,15H,4H2 |
| InChIKey |
HBRNXILNGWBKII-UHFFFAOYSA-N |
| Molecular Weight |
248.157 g/mol |
| SMILES |
C(F)(F)(F)C(O)C(=O)C1=CC2=C(C=C1)OCO2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895862 |
