| SpectraBase Compound ID | 4r2tpB27xmz |
|---|---|
| InChI | InChI=1S/C20H12F3NO/c21-20(22,23)19(25)24-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H,(H,24,25) |
| InChIKey | LJGJMCASWROFLL-UHFFFAOYSA-N |
| Mol Weight | 339.32 g/mol |
| Molecular Formula | C20H12F3NO |
| Exact Mass | 339.087098 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7p12I9oa6x6 |
|---|---|
| Name | 6-Aminochrysene, N-trifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 339.087098498 u |
| Formula | C20H12F3NO |
| InChI | InChI=1S/C20H12F3NO/c21-20(22,23)19(25)24-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H,(H,24,25) |
| InChIKey | LJGJMCASWROFLL-UHFFFAOYSA-N |
| Molecular Weight | 339.317 g/mol |
| SMILES | C1=2C(=C3C(=C(C2)NC(C(F)(F)F)=O)C=CC=C3)C=CC2=C1C=CC=C2 |