147-58-0

2-碘馬尿酸(147-58-0)質(zhì)譜(MS)

產(chǎn)品名稱:2-碘馬尿酸

CAS:147-58-0

分子式:C9H8INO3

分子量: 305.07

InChI:InChI=1S/C9H8INO3/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)

InChIKey: CORFWQGVBFFZHF-UHFFFAOYSA-N

Smiles:C(O)(=O)CNC(=O)C1=CC=CC=C1I

Mass

MS-IW-5657          
N-(2-iodobenzoyl)glycine
C9H8INO3            (Mass of molecular ion:    305)

   Source Temperature: 170 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      17.0       1.0
      18.0       5.4
      28.0       2.2
      44.0       1.5
      50.0       7.9
      51.0       3.1
      74.0       2.9
      75.0       4.3
      76.0      22.3
      77.0       6.0
     102.0       3.7
     103.0       1.7
     104.0       5.6
     105.0       6.6
     120.0       1.0
     121.0       1.2
     127.0       1.6
     128.0       2.6
     132.0       1.4
     134.0       4.1
     203.0      25.6
     204.0       1.8
     229.0       6.4
     231.0     100.0
     232.0       8.0
     259.0       1.5
     260.0      30.7
     261.0      15.3
     262.0       1.3
     287.0       6.4
     305.0      39.1
     306.0       4.1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₉ H₈ I N O₃	0.039 g : 0.5 ml DMSO-d₆
N-(2-iodobenzoyl)glycine

    Assign.     Shift(ppm)

      A            12.6
      B             8.71
      C             7.895
      D             7.464
      E             7.365
      F             7.184
      G             3.898

     Hz     ppm     Int.

   5054.05  12.647    348
   3485.83   8.723    144
   3479.85   8.708    291
   3474.08   8.693    146
   3159.75   7.907    423
   3158.89   7.905    441
   3152.05   7.888    460
   3150.99   7.885    450
   2992.00   7.487    187
   2990.94   7.484    189
   2988.37   7.478     31
   2984.53   7.468    455
   2983.46   7.466    443
   2977.05   7.450    316
   2975.98   7.447    299
   2947.56   7.376    443
   2945.85   7.372    481
   2942.64   7.364     44
   2939.87   7.357    338
   2938.16   7.352    310
   2879.61   7.206    245
   2877.68   7.201    238
   2875.55   7.196     33
   2871.91   7.187    364
   2870.20   7.182    340
   2867.00   7.174     32
   2864.22   7.167    232
   2862.51   7.163    206
   1560.96   3.906   1000
   1554.98   3.891    990

in DMSO-d6