| SpectraBase Spectrum ID |
8JZu9ZAqngm |
| Name |
Proline TFA |
| CAS Registry Number |
134454-19-6 |
| Classification |
Amino acid 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 |
211.045627608 u |
| Formula |
C7H8F3NO3 |
| InChI |
InChI=1S/C7H8F3NO3/c8-7(9,10)6(14)11-3-1-2-4(11)5(12)13/h4H,1-3H2,(H,12,13) |
| InChIKey |
PHJVUZNDIHXSDI-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
211.140 g/mol |
| Nominal Mass |
211 u |
| Quality |
994 |
| Retention Index |
1540 |
| SMILES |
OC(C1N(C(C(F)(F)F)=O)CCC1)=O |
| SPLASH |
splash10-014i-9800000000-d316c152d5169c1a9313 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(trifluoroacetyl)pyrrolidine-2-carboxylic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_028031 |
