2-Benzoxazolinone(59-49-4) IR2
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
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MassMS-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
