1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone(7226-23-5) MS
Product Name1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone
CAS7226-23-5
Molecular FormulaC6H12N2O
Molecular Weight128.17
InChIInChI=1S/C6H12N2O/c1-7-4-3-5-8(2)6(7)9/h3-5H2,1-2H3
InChIKey GUVUOGQBMYCBQP-UHFFFAOYSA-N
SmilesC1(=O)N(C)CCCN1C
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MassMS-NW-9761 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone C6H12N2O (Mass of molecular ion: 128)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 2.8 27.0 1.7 28.0 8.3 29.0 1.2 30.0 3.1 39.0 2.2 41.0 6.1 42.0 28.9 43.0 25.0 44.0 18.7 54.0 1.0 55.0 1.4 56.0 5.8 57.0 12.3 58.0 7.2 68.0 3.6 69.0 1.6 70.0 19.1 71.0 3.7 72.0 3.2 73.0 2.1 84.0 7.3 85.0 7.0 86.0 2.3 98.0 1.8 99.0 17.6 100.0 3.2 113.0 3.2 127.0 21.9 128.0 100.0 129.0 9.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H12 N2 O 0.05 ml : 0.5 ml CDCl3 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone 
Assign. Shift(ppm)
A 3.255 B 2.915 C 1.976
Hz ppm Int.297.56 3.323 107 291.75 3.258 165 288.94 3.227 30 287.88 3.215 30 285.69 3.190 132 261.13 2.916 1000 182.56 2.039 36 178.50 1.994 23 177.06 1.977 54 172.06 1.922 23 170.94 1.909 27 170.38 1.903 29
in CDCl3
liquid film
