2-Oxazolidone (497-25-6) MS
Product Name2-Oxazolidone
CAS497-25-6
Molecular FormulaC3H5NO2
Molecular Weight87.08
InChIInChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)
InChIKey IZXIZTKNFFYFOF-UHFFFAOYSA-N
SmilesO1CCNC1=O
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MassMS-NW-6308 2-oxazolidone C3H5NO2 (Mass of molecular ion: 87)
Source Temperature: 250 °C Sample Temperature: 190 °C Reservoir, 75 eV
14.0 2.6 15.0 20.8 18.0 2.1 26.0 2.5 27.0 5.1 28.0 65.4 29.0 42.8 30.0 14.1 31.0 10.3 39.0 1.1 40.0 2.9 41.0 4.7 42.0 29.7 43.0 10.1 44.0 4.9 56.0 3.3 57.0 4.1 58.0 2.0 59.0 58.3 60.0 1.8 86.0 4.1 87.0 100.0 88.0 4.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C3 H5 N O2 0.039 g : 0.5 ml CDCl3 2-oxazolidone 
Assign. Shift(ppm)
A 6.73 B 4.452 C 3.650
Hz ppm Int.2690.55 6.733 82 1787.35 4.473 921 1780.52 4.456 729 1779.42 4.453 1000 1777.95 4.449 653 1771.36 4.433 995 1467.16 3.672 629 1466.43 3.670 622 1460.45 3.655 433 1459.11 3.651 700 1458.13 3.649 831 1457.28 3.647 460 1451.17 3.632 565 1450.32 3.629 582
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
