| SpectraBase Compound ID | 2LVdJLwTCGa |
|---|---|
| InChI | InChI=1S/C16H19F3N2O3/c1-10(13(22)11-6-3-2-4-7-11)20-14(23)12-8-5-9-21(12)15(24)16(17,18)19/h2-4,6-7,10,12-13,22H,5,8-9H2,1H3,(H,20,23)/t10-,12?,13+/m1/s1 |
| InChIKey | BAIZLVOLZPKUCN-VBUNGHGYSA-N |
| Mol Weight | 344.33 g/mol |
| Molecular Formula | C16H19F3N2O3 |
| Exact Mass | 344.134777 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DkSHAdZzkae |
|---|---|
| Name | Norephedrine N-TFA |
| Classification | Pharmaceutical drug derivative |
| Copyright | Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 344.134776966 u |
| Formula | C16H19F3N2O3 |
| InChI | InChI=1S/C16H19F3N2O3/c1-10(13(22)11-6-3-2-4-7-11)20-14(23)12-8-5-9-21(12)15(24)16(17,18)19/h2-4,6-7,10,12-13,22H,5,8-9H2,1H3,(H,20,23)/t10-,12?,13+/m1/s1 |
| InChIKey | BAIZLVOLZPKUCN-VBUNGHGYSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 344.334 g/mol |
| Nominal Mass | 344 u |
| Quality | 965 |
| Retention Index | 2261 |
| SMILES | O[C@@]([C@](NC(C1N(C(C(F)(F)F)=O)CCC1)=O)(C)[H])(C=1C=CC=CC1)[H] |
| SPLASH | splash10-014i-3930000000-4fa962ed155b70b21c8e |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | N-((1R,2R)-1-hydroxy-1-phenylpropan-2-yl)-1-(trifluoroacetyl)pyrrolidine-2-carboxamide |
| Technique | GC/MS |
| Wiley ID | DD2024_003303 |