2-AMINO-1-PROPENE-1,1,3-TRICARBONITRILE(868-54-2) 13C NMR
Product Name2-AMINO-1-PROPENE-1,1,3-TRICARBONITRILE
CAS868-54-2
Molecular FormulaC6H4N4
Molecular Weight132.12
InChIInChI=1S/C6H4N4/c7-2-1-6(10)5(3-8)4-9/h1,10H2
InChIKey BNHGNFYPZNDLAF-UHFFFAOYSA-N
SmilesC(/C#N)(\C#N)=C(\N)/CC#N
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MassMS-NW-6181 2-amino-1-propene-1,1,3-tricarbonitrile C6H4N4 (Mass of molecular ion: 132)
Source Temperature: 190 °C Sample Temperature: 130 °C Direct, 75 eV
14.0 1.2 15.0 1.8 17.0 1.9 18.0 8.0 26.0 1.7 27.0 3.0 28.0 20.7 37.0 1.8 38.0 12.5 39.0 10.3 40.0 17.5 41.0 71.0 42.0 11.3 43.0 5.2 50.0 1.8 51.0 4.8 52.0 6.1 53.0 3.8 54.0 1.0 62.0 3.3 63.0 2.6 64.0 9.8 65.0 17.4 66.0 52.8 67.0 28.4 68.0 1.2 76.0 2.0 77.0 6.8 78.0 2.6 79.0 3.4 88.0 1.4 89.0 1.6 90.0 2.6 91.0 6.7 92.0 100.0 93.0 6.0 104.0 2.8 105.0 1.4 132.0 64.8 133.0 5.6
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Assign. Shift(ppm)
A *1 9.03 B *1 8.97 C 3.832Spectral Code: 1H NMR : 400 MHz in DMSO-d6
in DMSO-d6
KBr disc
nujol mull
