30652-11-0

去铁酮(30652-11-0)核磁图(¹HNMR)

产品名称:去铁酮

CAS:30652-11-0

分子式:C7H9NO2

分子量: 139.15

InChI:InChI=1S/C7H9NO2/c1-5-7(10)6(9)3-4-8(5)2/h3-4,10H,1-2H3

InChIKey: TZXKOCQBRNJULO-UHFFFAOYSA-N

Smiles:C1(C)N(C)C=CC(=O)C=1O

¹HNMR

¹³CNMR

Raman

Mass

MS-KW-0422          
3-hydroxy-1,2-dimethyl-4(1H)-pyridone 
C7H9NO2             (Mass of molecular ion:    139)

   Source Temperature: 170 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      15.0       2.6
      18.0       4.0
      26.0       2.7
      27.0       3.8
      28.0       4.9
      29.0       1.6
      39.0       2.5
      40.0       1.5
      41.0       4.7
      42.0      16.8
      43.0       2.5
      51.0       1.1
      52.0       3.4
      53.0       3.1
      54.0       3.1
      55.0       6.6
      56.0       4.4
      66.0       2.6
      67.0       2.5
      68.0       2.0
      69.0       2.6
      69.5       5.8
      70.0       1.7
      78.0       1.1
      80.0       2.2
      82.0       2.9
      83.0       1.0
      84.0       1.9
      93.0       2.0
      94.0       3.2
      96.0       2.2
      97.0       2.2
     110.0      29.7
     111.0       9.5
     124.0       3.0
     136.0       1.1
     138.0       5.9
     139.0     100.0
     140.0       8.8

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇H₉NO₂	saturated in DMSO-d₆
3-hydroxy-1,2-dimethyl-4(1H)-pyridone

    Assign.     Shift(ppm)

     A           7.544
     B           6.075
     C           3.7
     D           3.620
     E           2.259
     
     signal C includes H₂O

     Hz     ppm     Int.

   3019.54   7.553    146
   3012.21   7.535    152
   2432.01   6.084    183
   2424.81   6.066    181
   1479.62   3.702    300
   1447.03   3.620    944
    902.84   2.259   1000

in DMSO-d6