Product Name2-Benzoxazolinone
CAS59-49-4
Molecular FormulaC7H5NO2
Molecular Weight135.12
InChIInChI=1S/C7H5NO2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
InChIKey ASSKVPFEZFQQNQ-UHFFFAOYSA-N
SmilesO1C2=CC=CC=C2NC1=O

Mass
MS-NW-2150 2(3H)-benzoxazolone C7H5NO2 (Mass of molecular ion: 135)
Source Temperature: 250 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 3.4
26.0 2.7
27.0 2.2
28.0 2.0
37.0 2.5
38.0 4.9
38.5 2.5
39.0 4.3
39.5 3.8
40.0 1.0
41.0 2.3
44.0 2.9
49.0 1.1
50.0 5.1
51.0 9.6
52.0 29.7
53.0 3.8
53.5 1.1
61.0 1.1
62.0 2.0
63.0 7.3
64.0 12.3
65.0 2.7
67.5 2.5
78.0 4.4
79.0 45.0
80.0 2.9
91.0 20.0
92.0 1.5
106.0 2.3
134.0 1.1
135.0 100.0
136.0 8.1

in CDCl3

CCl4 solution

KBr disc

nujol mull


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