4-(Methylphenyl)sulfonylacetonitrile(5697-44-9) IR1
Product Name4-(Methylphenyl)sulfonylacetonitrile
CAS5697-44-9
Molecular FormulaC9H9NO2S
Molecular Weight195.24
InChIInChI=1S/C9H9NO2S/c1-8-2-4-9(5-3-8)13(11,12)7-6-10/h2-5H,7H2,1H3
InChIKey BBNNLJMGPASZPD-UHFFFAOYSA-N
SmilesC(#N)CS(C1=CC=C(C)C=C1)(=O)=O
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MassMS-NW-2316 tosylacetonitrile C9H9NO2S (Mass of molecular ion: 195)
Source Temperature: 280 °C Sample Temperature: 170 °C Reservoir, 75 eV
39.0 7.4 40.0 1.7 41.0 2.4 50.0 2.0 51.0 3.2 62.0 1.4 63.0 4.9 64.0 1.4 65.0 18.5 66.0 1.0 77.0 1.5 89.0 4.2 90.0 2.9 91.0 100.0 92.0 7.6 155.0 39.8 156.0 3.5 157.0 2.1 195.0 3.4
in CDCl3
KBr disc
nujol mull
