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

Mass
MS-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

Phenylpropiolic acid(637-44-5) Raman Atlas of Related Products
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