P-TOLUENESULFONIC ACID 1-BUTYN-3-YL ESTER(53487-52-8) IR2
Product NameP-TOLUENESULFONIC ACID 1-BUTYN-3-YL ESTER
CAS53487-52-8
Molecular FormulaC11H12O3S
Molecular Weight224.28
InChIInChI=1S/C11H12O3S/c1-4-10(3)14-15(12,13)11-7-5-9(2)6-8-11/h1,5-8,10H,2-3H3
InChIKey XWRDBUBKBUYLQI-UHFFFAOYSA-N
SmilesCC(OS(C1=CC=C(C)C=C1)(=O)=O)C#C
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MassMS-NW-9425 1-methyl-2-propynyl p-toluenesulfonate C11H12O3S (Mass of molecular ion: 224)
Source Temperature: 260 °C Sample Temperature: 160 °C Reservoir, 75 eV
18.0 1.9 26.0 2.3 27.0 16.9 28.0 2.4 37.0 1.0 38.0 2.2 39.0 11.3 40.0 1.1 41.0 6.9 43.0 2.9 49.0 1.7 50.0 9.4 51.0 14.8 52.0 17.1 53.0 35.8 54.0 1.7 62.0 1.5 63.0 6.2 64.0 2.0 65.0 27.3 66.0 1.7 69.0 9.9 77.0 6.0 78.0 1.3 79.0 7.1 80.0 2.1 89.0 6.7 90.0 5.8 91.0 100.0 92.0 13.3 93.0 1.0 107.0 17.6 108.0 15.7 109.0 1.3 115.0 1.2 117.0 2.0 128.0 1.0 129.0 4.5 132.0 2.4 134.0 1.3 139.0 35.0 140.0 3.3 141.0 2.0 144.0 23.0 145.0 4.1 155.0 18.4 156.0 2.0 157.0 1.4 172.0 33.6 173.0 3.1 174.0 1.8 224.0 1.2
KBr disc
nujol mull
