| SpectraBase Compound ID | 1EQbNrumgM3 |
|---|---|
| InChI | InChI=1S/C9H11NO.CHF3O3S/c10-7-6-9(11)8-4-2-1-3-5-8;2-1(3,4)8(5,6)7/h1-5H,6-7,10H2;(H,5,6,7) |
| InChIKey | GKTMJGQWKTWILP-UHFFFAOYSA-N |
| Mol Weight | 299.26 g/mol |
| Molecular Formula | C10H12F3NO4S |
| Exact Mass | 299.043914 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GQNByrwmznc |
|---|---|
| Name | 3-Amino-1-phenyl-propan-1-one-trifluoromethylsulfonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.043913529 u |
| Formula | C10H12F3NO4S |
| InChI | InChI=1S/C9H11NO.CHF3O3S/c10-7-6-9(11)8-4-2-1-3-5-8;2-1(3,4)8(5,6)7/h1-5H,6-7,10H2;(H,5,6,7) |
| InChIKey | GKTMJGQWKTWILP-UHFFFAOYSA-N |
| Molecular Weight | 299.264 g/mol |
| SMILES | C([NH3+])CC(=O)C1=CC=CC=C1.C(F)(F)(F)S(=O)(=O)[O-] |