Product NameETHYL HEPTAFLUOROBUTYRATE
CAS356-27-4
Molecular FormulaC6H5F7O2
Molecular Weight242.09
InChIInChI=1S/C6H5F7O2/c1-2-15-3(14)4(7,8)5(9,10)6(11,12)13/h2H2,1H3
InChIKey JVHJRIQPDBCRRE-UHFFFAOYSA-N
SmilesC(OCC)(=O)C(F)(F)C(F)(F)C(F)(F)F
Mass
MS-NW-6382 ethyl heptafluorobutyrate C6H5F7O2 (Mass of molecular ion: 242)
Source Temperature: 270 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 1.8 26.0 1.9 27.0 20.4 28.0 6.7 29.0 100.0 30.0 2.4 31.0 3.1 33.0 1.3 43.0 1.7 45.0 1.0 50.0 1.2 69.0 20.6 100.0 4.4 119.0 3.8 169.0 14.7 197.0 3.5
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C6 H5 F7 O2 | 0.05 ml : 0.5 ml CDCl3 |
ethyl heptafluorobutyrate |
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Assign. Shift(ppm) |
Hz ppm Int.
1789.67 4.479 157 1782.47 4.461 422 1778.93 4.452 23 1775.27 4.443 424 1768.19 4.425 160 562.99 1.409 610 559.57 1.401 39 555.79 1.391 1000 548.58 1.373 594
liquid film
4880 A,200 M,liquid
ETHYL HEPTAFLUOROBUTYRATE(356-27-4) Raman Atlas of Related Products