550-33-4

NEBULARINE(550-33-4) ¹H NMR

Product NameNEBULARINE

CAS 550-33-4

Molecular FormulaC10H12N4O4

Molecular Weight252.23

InChIInChI=1/C10H12N4O4/c15-2-6-7(16)8(17)10(18-6)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-17H,2H2/t6-,7-,8-,10-/s3

InChIKey MRWXACSTFXYYMV-DOGWMMLDNA-N

SmilesN1(C=NC2C=NC=NC1=2)[C@H]1[C@H](O)[C@H](O)[C@@H](CO)O1 |&1:9,10,12,14,r|

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¹HNMR

IR1

IR2

NEBULARINE(550-33-4) <sup>1</sup>H NMR
Mass

MS-NW-7158          
purine riboside
C10H12N4O4          (Mass of molecular ion:    252)

   Source Temperature: 190 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      15.0       2.6
      17.0       1.0
      18.0       4.8
      19.0       4.4
      26.0       1.4
      27.0       5.3
      28.0      11.9
      29.0       8.8
      30.0       2.0
      31.0      11.6
      38.0       2.5
      39.0       5.2
      40.0       5.3
      41.0       5.6
      42.0       3.7
      43.0      10.1
      44.0       3.6
      45.0       8.2
      47.0       1.3
      51.0       5.3
      52.0       9.7
      53.0       3.9
      54.0       1.5
      55.0       7.2
      56.0       3.5
      57.0      21.0
      58.0       2.7
      59.0       1.2
      60.0       5.5
      61.0       5.9
      65.0       2.9
      66.0      11.8
      67.0       6.7
      68.0       2.7
      69.0       4.1
      71.0       5.5
      72.0       1.2
      73.0      22.0
      74.0       2.4
      77.0       2.5
      78.0       2.9
      79.0       2.4
      80.0       1.5
      84.0       1.2
      85.0       5.2
      86.0       5.6
      87.0       1.0
      92.0       1.7
      93.0      10.0
      94.0       6.1
      95.0       1.0
      97.0       1.3
     104.0       1.1
     106.0       1.2
     114.0       1.1
     115.0       1.6
     119.0       2.0
     120.0      33.9
     121.0     100.0
     122.0       7.5
     132.0       1.6
     133.0       8.7
     134.0       3.4
     147.0       1.4
     149.0      86.9
     150.0       8.2
     162.0       1.7
     163.0      23.1
     164.0       2.5
     175.0       2.2
     179.0       2.6
     187.0       1.3
     205.0       1.1
     221.0       1.1
     222.0       3.6