4-Ethylbenzenesulfonic acid(98-69-1) MS
Product Name4-Ethylbenzenesulfonic acid
CAS98-69-1
Molecular FormulaC8H10O3S
Molecular Weight186.23
InChIInChI=1S/C8H10O3S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3,(H,9,10,11)
InChIKey BRIXOPDYGQCZFO-UHFFFAOYSA-N
SmilesC1(S(O)(=O)=O)=CC=C(CC)C=C1
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MassMS-NW-4866 p-ethylbenzenesulfonic acid C8H10O3S (Mass of molecular ion: 186)
Source Temperature: 170 °C Sample Temperature: 120 °C Direct, 75 eV
27.0 4.9 38.0 1.4 39.0 7.9 41.0 1.3 48.0 1.0 50.0 6.7 51.0 11.5 52.0 3.1 53.0 3.1 62.0 2.9 63.0 8.4 64.0 2.6 65.0 4.0 74.0 3.0 75.0 2.8 76.0 2.7 77.0 28.5 78.0 9.0 79.0 13.2 81.0 1.9 89.0 9.0 90.0 6.1 91.0 3.9 93.0 1.1 94.0 1.0 102.0 2.2 103.0 11.6 104.0 9.2 105.0 100.0 106.0 9.3 107.0 32.2 108.0 2.5 171.0 23.8 172.0 2.1 173.0 1.4 186.0 29.7 187.0 3.1 188.0 1.7
KBr disc
liquid film
nujol mull
