| SpectraBase Spectrum ID |
B12HfPGU4kS |
| Name |
2,2,3,3,4,4,4-Heptafluoro-N-phenylbutanamide |
| CAS Registry Number |
336-61-8 |
| Classification |
Chemical |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
289.033760957 u |
| Formula |
C10H6F7NO |
| InChI |
InChI=1S/C10H6F7NO/c11-8(12,9(13,14)10(15,16)17)7(19)18-6-4-2-1-3-5-6/h1-5H,(H,18,19) |
| InChIKey |
AFGARRAOIQHNDW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
289.153 g/mol |
| Nominal Mass |
289 u |
| Quality |
993 |
| Retention Index |
1176 |
| SMILES |
C(C(C(NC=1C=CC=CC1)=O)(F)F)(C(F)(F)F)(F)F |
| SPLASH |
splash10-009l-9430000000-8a7464c8be87f4d6ceaa |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2,2,3,3,4,4,4-heptafluoro-N-phenylbutanamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_027956 |
