| SpectraBase Compound ID | GMShEms0V1z |
|---|---|
| InChI | InChI=1S/C6H6F3NO2/c1-4(11)10-3-2-5(12)6(7,8)9/h2-3H,1H3,(H,10,11)/b3-2+ |
| InChIKey | UPBOSVWEJSSWKG-NSCUHMNNSA-N |
| Mol Weight | 181.11 g/mol |
| Molecular Formula | C6H6F3NO2 |
| Exact Mass | 181.035063 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Fu8B5i8tMj |
|---|---|
| Name | 4-Amino-1,1,1-trifluorobut-3-en-2-one, N-acetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.035062924 u |
| Formula | C6H6F3NO2 |
| InChI | InChI=1S/C6H6F3NO2/c1-4(11)10-3-2-5(12)6(7,8)9/h2-3H,1H3,(H,10,11)/b3-2+ |
| InChIKey | UPBOSVWEJSSWKG-NSCUHMNNSA-N |
| Molecular Weight | 181.114 g/mol |
| SMILES | C(F)(F)(F)C(=O)\C=C\NC(C)=O |