| SpectraBase Spectrum ID |
CbOe4eZ6FXV |
| Name |
1-(6-(Trifluoromethyl)benzo[D][1,3]dioxol-5-yl)ethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
232.034728571 u |
| Formula |
C10H7F3O3 |
| InChI |
InChI=1S/C10H7F3O3/c1-5(14)6-2-8-9(16-4-15-8)3-7(6)10(11,12)13/h2-3H,4H2,1H3 |
| InChIKey |
YMUBUSUBVXUSNE-UHFFFAOYSA-N |
| Molecular Weight |
232.158 g/mol |
| SMILES |
C=1(C(F)(F)F)C(=CC2=C(C1)OCO2)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9508 |
![1-(6-(Trifluoromethyl)benzo[d][1,3]dioxol-5-yl)ethanone](/api/spectrum/CbOe4eZ6FXV/structure.png?h=300&w=458 "1-(6-(Trifluoromethyl)benzo[d][1,3]dioxol-5-yl)ethanone")
