Propyleneurea(1852-17-1) ¹³C NMR

Product NamePropyleneurea

CAS 1852-17-1

Molecular FormulaC4H8N2O

Molecular Weight100.12

InChIInChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)

InChIKey NQPJDJVGBDHCAD-UHFFFAOYSA-N

SmilesC1(=O)NCCCN1

Request For Quotation

Mass

MS-NW-4962          
tetrahydro-2-pyrimidinone
C4H8N2O             (Mass of molecular ion:    100)

   Source Temperature: 270 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       3.3
      17.0       1.0
      18.0       5.5
      26.0       3.7
      27.0       7.5
      28.0      42.5
      29.0      16.2
      30.0     100.0
      31.0       2.0
      39.0       1.8
      40.0       2.0
      41.0       3.8
      42.0       4.6
      43.0       5.5
      44.0       6.6
      45.0       2.7
      52.0       1.1
      54.0       2.1
      55.0       1.6
      56.0      11.5
      57.0       6.7
      70.0       1.8
      71.0       4.1
      72.0       4.1
      99.0       8.8
     100.0      63.6
     101.0       3.7

400 MHz in D2O

¹H NMR	399.65 MHz
C₄ H₈ N₂ O	0.039 g : 0.5 ml D₂O
tetrahydro-2-pyrimidinone

    Assign.     Shift(ppm)

      A             3.267
      B             1.852
     
     THE SOLVENT SIGNAL SUPPRESSED.

     Hz     ppm     Int.

   1318.97   3.301     22
   1317.38   3.297     27
   1317.02   3.296     27
   1311.52   3.282    813
   1305.66   3.268   1000
   1299.80   3.253    808
   1294.07   3.239     32
   1292.85   3.235     26
    751.83   1.882    119
    745.97   1.867    261
    743.77   1.862    109
    740.23   1.853    440
    736.69   1.844     97
    734.38   1.838    243
    728.52   1.823    111

in D2O