| SpectraBase Spectrum ID |
GWdQGImprOq |
| Name |
Centalun 2TFA |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
368.048327776 u |
| Formula |
C15H10F6O4 |
| InChI |
InChI=1S/C15H10F6O4/c1-3-13(2,25-12(23)15(19,20)21)10(9-7-5-4-6-8-9)24-11(22)14(16,17)18/h1,4-8,10H,2H3 |
| InChIKey |
PAUJVDRKNXKYAQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
368.231 g/mol |
| Nominal Mass |
368 u |
| Quality |
997 |
| Retention Index |
1569 |
| SMILES |
C(C(C=1C=CC=CC1)OC(C(F)(F)F)=O)(OC(C(F)(F)F)=O)(C#C)C |
| SPLASH |
splash10-0a6r-9600000000-7cd91c70c9c044403a49 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-methyl-1-phenyl-1-((trifluoroacetyl)oxy)but-3-yn-2-yl trifluoroacetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_013024 |
