ETHYL ALLOPHANATE(626-36-8) 13C NMR
Product NameETHYL ALLOPHANATE
CAS626-36-8
Molecular FormulaC4H8N2O3
Molecular Weight132.12
InChIInChI=1S/C4H8N2O3/c1-2-9-4(8)6-3(5)7/h2H2,1H3,(H3,5,6,7,8)
InChIKey PIHPSKJRLDSJPX-UHFFFAOYSA-N
SmilesC(OCC)(=O)NC(N)=O
-
MassMS-NW-5040 ethyl allophanate C4H8N2O3 (Mass of molecular ion: 132)
Source Temperature: 150 °C Sample Temperature: 110 °C Direct, 75 eV
14.0 1.1 15.0 4.2 16.0 4.8 17.0 21.0 18.0 12.8 19.0 1.5 26.0 3.7 27.0 18.9 28.0 9.7 29.0 44.7 30.0 4.7 31.0 24.2 42.0 6.3 43.0 29.7 44.0 100.0 45.0 43.2 46.0 7.4 60.0 18.3 61.0 15.5 62.0 44.5 70.0 4.3 74.0 9.7 86.0 2.2 87.0 15.1 88.0 18.2 89.0 14.2 104.0 1.2 105.0 82.3 106.0 2.7 117.0 2.5 132.0 16.2 133.0 1.3
DMSO-d6
KBr disc
nujol mull
