| SpectraBase Spectrum ID |
8HXMofoiCRc |
| Name |
beta-Methylphenethylamine HFB |
| CAS Registry Number |
70414-03-8 |
| Classification |
beta-isomeric amphetamine derivative |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
331.080711150 u |
| Formula |
C13H12F7NO |
| InChI |
InChI=1S/C13H12F7NO/c1-8(9-5-3-2-4-6-9)7-21-10(22)11(14,15)12(16,17)13(18,19)20/h2-6,8H,7H2,1H3,(H,21,22) |
| InChIKey |
SUAUDWRFVCXSIC-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
331.234 g/mol |
| Nominal Mass |
331 u |
| Quality |
992 |
| Retention Index |
1478 |
| SMILES |
C(C(C(F)(F)F)(F)F)(C(NCC(C=1C=CC=CC1)C)=O)(F)F |
| SPLASH |
splash10-0aor-3900000000-0f25d9f72e42f8a3e09c |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2,2,3,3,4,4,4-Heptafluoro-N-(2-phenylpropyl)butanamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_021909 |
