Methyl benzenesulfonate(80-18-2) 1H NMR
Product NameMethyl benzenesulfonate
CAS80-18-2
Molecular FormulaC7H8O3S
Molecular Weight172.2
InChIInChI=1S/C7H8O3S/c1-10-11(8,9)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey CZXGXYBOQYQXQD-UHFFFAOYSA-N
SmilesC1(S(OC)(=O)=O)=CC=CC=C1
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MassMS-NW-4185 methyl benzenesulfonate C7H8O3S (Mass of molecular ion: 172)
Source Temperature: 230 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 4.1 27.0 2.1 28.0 2.5 29.0 1.5 38.0 1.1 39.0 3.6 50.0 8.8 51.0 27.5 52.0 1.7 65.0 5.2 74.0 2.4 75.0 2.0 76.0 2.5 77.0 100.0 78.0 22.5 79.0 10.5 93.0 1.3 108.0 9.3 125.0 1.8 141.0 29.9 142.0 4.4 143.0 1.6 172.0 27.5 173.0 2.5 174.0 1.3
in CDCl3
liquid film
