651-06-9

磺胺對甲氧嘧啶(651-06-9)質(zhì)譜(MS)

產(chǎn)品名稱:磺胺對甲氧嘧啶

CAS:651-06-9

分子式:C11H12N4O3S

分子量: 280.3

InChI:InChI=1S/C11H12N4O3S/c1-18-9-6-13-11(14-7-9)15-19(16,17)10-4-2-8(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)

InChIKey: GPTONYMQFTZPKC-UHFFFAOYSA-N

Smiles:C1(S(NC2=NC=C(OC)C=N2)(=O)=O)=CC=C(N)C=C1

Mass

MS-NW-9909          
N(1)-(5-methoxy-2-pyrimidinyl)sulfanilamide
C11H12N4O3S         (Mass of molecular ion:    280)

   Source Temperature: 230 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      15.0       1.3
      18.0       4.2
      27.0       1.2
      28.0       6.1
      39.0       6.6
      41.0       2.1
      42.0       1.5
      52.0       1.8
      53.0       2.0
      54.0       6.2
      55.0       1.2
      63.0       2.3
      64.0       3.5
      65.0      34.7
      66.0       4.2
      70.0       2.4
      80.0       1.7
      82.0       5.9
      83.0       1.0
      91.0       3.4
      92.0      53.4
      93.0       5.4
      97.0       1.5
     108.0      27.1
     109.0       3.2
     110.0      12.2
     111.0       1.2
     118.0       1.1
     119.0       3.5
     124.0       1.1
     125.0      16.4
     126.0       1.7
     140.0       2.8
     146.0       2.2
     156.0       9.0
     157.0       1.1
     172.0       2.5
     173.0       6.5
     174.0       1.6
     200.0       2.8
     201.0      12.2
     202.0       1.5
     215.0     100.0
     216.0      93.6
     217.0      12.0
     281.0       1.4

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₁ H₁₂ N₄ O₃ S	0.037 g : 0.5 ml DMSO-d₆
N(1)-(5-methoxy-2-pyrimidinyl)sulfanilamide

    Assign.     Shift(ppm)

      A            11.0
      B             8.283
      C             7.615
      D             6.580
      E             6.00
      F             3.436

     Hz     ppm     Int.

   4411.56  11.039     38
   3310.55   8.284   1000
   3050.64   7.634     30
   3048.07   7.627    271
   3046.24   7.623     78
   3041.11   7.610     84
   3039.28   7.605    290
   3036.53   7.598     35
   2636.86   6.598     35
   2634.12   6.592    290
   2632.29   6.587     83
   2627.34   6.575     85
   2625.33   6.570    287
   2622.58   6.563     35
   2396.37   5.997    226
   1373.38   3.437   1000

in DMSO-d6