4-NITROBENZENESULFONYL FLUORIDE(349-96-2) IR1
Product Name4-NITROBENZENESULFONYL FLUORIDE
CAS349-96-2
Molecular FormulaC6H4FNO4S
Molecular Weight205.16
InChIInChI=1S/C6H4FNO4S/c7-13(11,12)6-3-1-5(2-4-6)8(9)10/h1-4H
InChIKey HRLAPUHJWRZEIC-UHFFFAOYSA-N
SmilesC1(S(F)(=O)=O)=CC=C([N+]([O-])=O)C=C1
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MassMS-NW-8014 p-nitrobenzenesulfonyl fluoride C6H4FNO4S (Mass of molecular ion: 205)
Source Temperature: 120 °C Sample Temperature: 100 °C Direct, 75 eV
28.0 4.2 30.0 55.4 37.0 2.5 38.0 5.3 39.0 3.7 44.0 1.2 45.0 1.6 49.0 1.1 50.0 40.6 51.0 4.5 52.0 6.9 53.0 1.3 57.0 1.4 59.0 1.2 61.0 1.7 62.0 3.6 63.0 14.7 64.0 27.6 65.0 1.5 67.0 18.7 69.0 2.5 73.0 2.7 74.0 19.1 75.0 74.6 76.0 25.3 77.0 1.6 79.0 1.9 80.0 12.1 82.0 2.2 83.0 11.3 92.0 74.5 93.0 5.4 95.0 14.1 96.0 1.2 101.0 1.0 107.0 2.5 108.0 5.2 110.0 1.3 111.0 1.8 122.0 3.2 147.0 1.9 159.0 54.7 160.0 4.4 161.0 2.8 175.0 2.1 189.0 2.7 205.0 100.0 206.0 8.5 207.0 5.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H4 F N O4 S 0.031 g : 0.5 ml CDCl3 p-nitrobenzenesulfonyl fluoride 
Assign. Shift(ppm)
A 8.501 B 8.258
Hz ppm Int.3405.52 8.522 71 3404.66 8.520 97 3403.32 8.516 498 3402.34 8.514 597 3400.27 8.509 191 3396.24 8.499 203 3394.17 8.493 700 3393.19 8.491 629 3390.99 8.485 103 3308.96 8.280 24 3306.76 8.275 134 3304.44 8.269 1000 3302.61 8.264 287 3297.49 8.251 262 3295.65 8.247 820 3293.33 8.241 105
in CDCl3
KBr disc
nujol mull
