| SpectraBase Spectrum ID |
2pW6EhMnj1M |
| Name |
beta-Methylphenethylamine PFP |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
281.083904824 u |
| Formula |
C12H12F5NO |
| InChI |
InChI=1S/C12H12F5NO/c1-8(9-5-3-2-4-6-9)7-18-10(19)11(13,14)12(15,16)17/h2-6,8H,7H2,1H3,(H,18,19) |
| InChIKey |
QQHWXLLTZAAKOP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
281.226 g/mol |
| Nominal Mass |
281 u |
| Quality |
994 |
| Retention Index |
1382 |
| SMILES |
C(C(F)(F)F)(C(NCC(C1=CC=CC=C1)C)=O)(F)F |
| SPLASH |
splash10-0aor-4900000000-33c260dd88146b6e8ab9 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2,2,3,3,3-Pentafluoro-N-(2-phenylpropyl)propanamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022462 |
