| SpectraBase Spectrum ID |
Gh3byrEOzoO |
| Name |
6-(Trifluoromethoxy)-1H-indole-2,3-dione, acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
273.024892162 u |
| Formula |
C11H6F3NO4 |
| InChI |
InChI=1S/C11H6F3NO4/c1-5(16)15-8-4-6(19-11(12,13)14)2-3-7(8)9(17)10(15)18/h2-4H,1H3 |
| InChIKey |
QWQZNHXQGPRGRI-UHFFFAOYSA-N |
| Molecular Weight |
273.167 g/mol |
| SMILES |
C(F)(F)(F)OC1=CC2=C(C=C1)C(=O)C(N2C(C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941471 |
