| SpectraBase Compound ID | 5ZxpskpN9HT |
|---|---|
| InChI | InChI=1S/C3H6N2.C2HF3O2/c4-2-1-3-5;3-2(4,5)1(6)7/h1-2,4H2;(H,6,7) |
| InChIKey | SVFWXLMJCMKPOW-UHFFFAOYSA-N |
| Mol Weight | 184.118 g/mol |
| Molecular Formula | C5H7F3N2O2 |
| Exact Mass | 184.045962 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ae2ktPiWXcD |
|---|---|
| Name | 3-Aminopropionitrile, trifluoroacetate(1:1)(salt) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.045961960 u |
| Formula | C5H7F3N2O2 |
| InChI | InChI=1S/C3H6N2.C2HF3O2/c4-2-1-3-5;3-2(4,5)1(6)7/h1-2,4H2;(H,6,7) |
| InChIKey | SVFWXLMJCMKPOW-UHFFFAOYSA-N |
| Molecular Weight | 184.118 g/mol |
| SMILES | C(F)(F)(F)C(O)=O.NCCC#N |