Halazone(80-13-7) 1H NMR
Molecular FormulaC7H5Cl2NO4S
Molecular Weight270.09
InChIInChI=1S/C7H5Cl2NO4S/c8-10(9)15(13,14)6-3-1-5(2-4-6)7(11)12/h1-4H,(H,11,12)
InChIKey XPDVQPODLRGWPL-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=C(S(N(Cl)Cl)(=O)=O)C=C1
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MassMS-NW-2554 p-(N,N-dichlorosulfamoyl)benzoic acid C7H5Cl2NO4S (Mass of molecular ion: 269)
Source Temperature: 200 °C Sample Temperature: 150 °C Direct, 75 eV
17.0 2.9 17.5 1.0 18.0 12.6 27.0 2.0 28.0 6.0 35.0 11.6 36.0 100.0 37.0 3.9 38.0 31.9 39.0 11.8 44.0 8.4 45.0 3.2 48.0 5.2 50.0 16.1 51.0 11.3 52.0 1.7 53.0 2.5 62.0 1.2 63.0 3.3 64.0 10.4 65.0 68.1 66.0 4.2 69.0 1.0 70.0 4.9 72.0 3.5 73.0 1.2 74.0 6.4 75.0 11.9 76.0 15.0 77.0 3.8 81.0 1.3 91.0 1.6 92.0 1.8 93.0 8.2 103.0 4.7 104.0 5.1 105.0 2.3 107.0 1.3 108.0 1.2 120.0 2.5 121.0 89.8 122.0 8.3 137.0 16.7 138.0 7.7 139.0 2.5 185.0 50.1 186.0 4.4 187.0 2.8 201.0 14.6 202.0 1.4 235.0 1.6
in DMSO-d6
in DMSO-d6
KBr disc
nujol mull
