Product Name3-(fluorosulphonyl)benzoyl chloride
CAS454-93-3
Molecular FormulaC7H4ClFO3S
Molecular Weight222.6212632
InChI
InChIKey
Smiles
Mass
MS-IW-0586 m-(fluorosulfonyl)benzoyl chloride C7H4ClFO3S (Mass of molecular ion: 222)
Source Temperature: 270 °C Sample Temperature: 150 °C Reservoir, 75 eV
28.0 2.2 36.0 1.2 37.0 1.1 38.0 2.9 50.0 12.7 51.0 1.3 52.0 1.0 63.0 2.6 64.0 5.0 73.0 1.2 74.0 6.2 75.0 18.4 76.0 11.1 80.0 1.4 83.0 3.2 92.0 29.2 93.0 2.1 95.0 5.2 104.0 1.5 111.0 1.4 159.0 12.8 187.0 100.0 188.0 8.6 189.0 5.4
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C7 H4 Cl F O3 S | 0.05 ml : 0.5 ml CDCl3 |
m-(fluorosulfonyl)benzoyl chloride |
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Assign. Shift(ppm) |
Hz ppm Int.
3495.64 8.747 22 3490.75 8.735 581 3488.92 8.730 1000 3487.09 8.726 584 3426.06 8.573 337 3424.84 8.570 475 3423.61 8.567 330 3416.90 8.550 501 3415.68 8.547 344 3346.71 8.375 373 3345.18 8.371 435 3343.66 8.367 361 3338.62 8.354 397 3337.25 8.351 456 3335.72 8.347 378 3179.17 7.955 390 3171.23 7.936 690 3163.30 7.916 334
in CDCl3
liquid film
3-(fluorosulphonyl)benzoyl chloride (454-93-3) IR1 Atlas of Related Products
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