Phenylpropiolic acid(637-44-5) IR3
Product NamePhenylpropiolic acid
CAS637-44-5
Molecular FormulaC9H6O2
Molecular Weight146.14
InChIInChI=1S/C9H6O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,(H,10,11)
InChIKey XNERWVPQCYSMLC-UHFFFAOYSA-N
SmilesC(O)(=O)C#CC1=CC=CC=C1
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MassMS-NW-2601 phenylpropiolic acid C9H6O2 (Mass of molecular ion: 146)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
37.0 1.0 38.0 1.0 39.0 2.7 44.0 23.4 49.0 1.1 50.0 9.2 51.0 7.6 52.0 5.7 60.5 1.2 61.0 2.4 62.0 5.7 73.0 1.1 74.0 7.8 75.0 6.8 76.0 21.2 77.0 1.5 87.0 1.1 98.0 1.4 101.0 2.2 102.0 100.0 103.0 9.0
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,200 M,powder
