| SpectraBase Spectrum ID |
8J8pMBhhTdY |
| Name |
Heptafluorobutyric acid |
| CAS Registry Number |
2218-54-4 |
| Classification |
Derivatizing agent |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
213.986476411 u |
| Formula |
C4HF7O2 |
| InChI |
InChI=1S/C4HF7O2/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H,12,13) |
| InChIKey |
YPJUNDFVDDCYIH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
214.039 g/mol |
| Nominal Mass |
214 u |
| Quality |
975 |
| Retention Index |
863 |
| SMILES |
OC(C(C(C(F)(F)F)(F)F)(F)F)=O |
| SPLASH |
splash10-0gba-9500000000-157e0b5510bb2b0686e2 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Heptafluoro-butanoic acid
2,2,3,3,4,4,4-Heptafluorobutanoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009642 |
