| SpectraBase Compound ID | 35M1JvBw0LE |
|---|---|
| InChI | InChI=1S/C16H8F3NO3/c17-16(18,19)15(23)20-11-7-3-6-10-12(11)14(22)9-5-2-1-4-8(9)13(10)21/h1-7H,(H,20,23) |
| InChIKey | CDSVEUZALKZMDW-UHFFFAOYSA-N |
| Mol Weight | 319.24 g/mol |
| Molecular Formula | C16H8F3NO3 |
| Exact Mass | 319.045628 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 | 9XEdJjHdFyx |
|---|---|
| Name | 1-Aminoanthraquinone, N-trifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.045627608 u |
| Formula | C16H8F3NO3 |
| InChI | InChI=1S/C16H8F3NO3/c17-16(18,19)15(23)20-11-7-3-6-10-12(11)14(22)9-5-2-1-4-8(9)13(10)21/h1-7H,(H,20,23) |
| InChIKey | CDSVEUZALKZMDW-UHFFFAOYSA-N |
| Molecular Weight | 319.239 g/mol |
| SMILES | C1(C2=C(C(C3=C1C=CC=C3NC(C(F)(F)F)=O)=O)C=CC=C2)=O |