3-NITROBENZENESULFONIC ACID(98-47-5) IR2
Product Name3-NITROBENZENESULFONIC ACID
CAS98-47-5
Molecular FormulaC6H5NO5S
Molecular Weight203.17
InChIInChI=1S/C6H5NO5S/c8-7(9)5-2-1-3-6(4-5)13(10,11)12/h1-4H,(H,10,11,12)
InChIKey ONMOULMPIIOVTQ-UHFFFAOYSA-N
SmilesC1(S(O)(=O)=O)=CC=CC([N+]([O-])=O)=C1
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MassMS-NW-1892 m-nitrobenzenesulfonic acid C6H5NO5S (H2O) (Mass of molecular ion: 203)
Source Temperature: 200 °C Sample Temperature: 140 °C Direct, 75 eV
17.0 1.2 18.0 5.7 27.0 2.4 28.0 2.9 30.0 39.1 37.0 2.6 38.0 5.9 39.0 20.3 41.0 1.2 45.0 5.7 46.0 1.7 48.0 1.4 49.0 1.4 50.0 47.9 51.0 7.6 52.0 3.4 53.0 9.6 55.0 4.0 61.0 1.8 62.0 3.3 63.0 13.9 64.0 20.3 65.0 36.0 66.0 2.3 69.0 2.3 70.0 1.3 73.0 3.4 74.0 18.9 75.0 53.1 76.0 36.1 77.0 3.7 79.0 1.0 80.0 1.3 81.0 25.3 82.0 1.6 83.0 1.4 85.0 1.0 87.0 1.7 92.0 22.8 93.0 8.0 94.0 1.2 95.0 1.2 107.0 3.2 108.0 1.4 109.0 59.2 110.0 4.0 111.0 1.4 122.0 3.8 139.0 2.2 157.0 66.1 158.0 5.3 159.0 3.5 173.0 4.1 186.0 1.5 187.0 1.5 203.0 100.0 204.0 8.0 205.0 5.7
KBr disc
nujol mull
