| SpectraBase Compound ID | D5wtg23pFGD |
|---|---|
| InChI | InChI=1S/C11H8F3NO/c1-15-6-8(10(16)11(12,13)14)7-4-2-3-5-9(7)15/h2-6H,1H3 |
| InChIKey | ICMIXFPYWFUAAL-UHFFFAOYSA-N |
| Mol Weight | 227.19 g/mol |
| Molecular Formula | C11H8F3NO |
| Exact Mass | 227.055798 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | I45EX8MglVc |
|---|---|
| Name | 1-Methylindole, 3-trifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.055798370 u |
| Formula | C11H8F3NO |
| InChI | InChI=1S/C11H8F3NO/c1-15-6-8(10(16)11(12,13)14)7-4-2-3-5-9(7)15/h2-6H,1H3 |
| InChIKey | ICMIXFPYWFUAAL-UHFFFAOYSA-N |
| Molecular Weight | 227.186 g/mol |
| SMILES | C1=CC2=C(C=C1)C(C(C(F)(F)F)=O)=CN2C |