| SpectraBase Compound ID | 5yKDULp4j5i |
|---|---|
| InChI | InChI=1S/C13H7F3N2O/c14-13(15,16)12(19)18-10-4-2-1-3-8(10)9-5-6-17-7-11(9)18/h1-7H |
| InChIKey | IDOLYMJWNVEONA-UHFFFAOYSA-N |
| Mol Weight | 264.21 g/mol |
| Molecular Formula | C13H7F3N2O |
| Exact Mass | 264.051047 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3fRT44A3bZJ |
|---|---|
| Name | Norharmane, N-trifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.051047341 u |
| Formula | C13H7F3N2O |
| InChI | InChI=1S/C13H7F3N2O/c14-13(15,16)12(19)18-10-4-2-1-3-8(10)9-5-6-17-7-11(9)18/h1-7H |
| InChIKey | IDOLYMJWNVEONA-UHFFFAOYSA-N |
| Molecular Weight | 264.207 g/mol |
| SMILES | C1=CC=C2C(=C1)C1=C(N2C(C(F)(F)F)=O)C=NC=C1 |