![1H-isoindole-1,3(2H)-dione, 2-[[3-(trifluoromethyl)benzoyl]oxy]-](/api/spectrum/CIxD8wvGCvg/structure.png?h=300&w=458 "1H-isoindole-1,3(2H)-dione, 2-[[3-(trifluoromethyl)benzoyl]oxy]-")
| SpectraBase Compound ID | JK2FSfVNFPL |
|---|---|
| InChI | InChI=1S/C16H8F3NO4/c17-16(18,19)10-5-3-4-9(8-10)15(23)24-20-13(21)11-6-1-2-7-12(11)14(20)22/h1-8H |
| InChIKey | BNBDBVIQIHDTIL-UHFFFAOYSA-N |
| Mol Weight | 335.24 g/mol |
| Molecular Formula | C16H8F3NO4 |
| Exact Mass | 335.040542 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CIxD8wvGCvg |
|---|---|
| Name | 1H-Isoindole-1,3(2H)-dione, 2-[[3-(trifluoromethyl)benzoyl]oxy]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 335.040542227 u |
| Formula | C16H8F3NO4 |
| InChI | InChI=1S/C16H8F3NO4/c17-16(18,19)10-5-3-4-9(8-10)15(23)24-20-13(21)11-6-1-2-7-12(11)14(20)22/h1-8H |
| InChIKey | BNBDBVIQIHDTIL-UHFFFAOYSA-N |
| Molecular Weight | 335.238 g/mol |
| SMILES | C(F)(F)(F)C1=CC=CC(=C1)C(=O)ON1C(=O)C2=CC=CC=C2C1=O |