磺胺二甲唑(729-99-7)質(zhì)譜(MS)

產(chǎn)品名稱:磺胺二甲唑

CAS:729-99-7

分子式:C11H13N3O3S

分子量: 267.3

InChI:InChI=1S/C11H13N3O3S/c1-7-8(2)17-11(13-7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6H,12H2,1-2H3,(H,13,14)

InChIKey: CYFLXLSBHQBMFT-UHFFFAOYSA-N

Smiles:C1(S(NC2=NC(C)=C(C)O2)(=O)=O)=CC=C(N)C=C1

¹HNMR

IR1

IR2

Mass

MS-NW-6353          
N(1)-(4,5-dimethyl-2-oxazolyl)sulfanilamide
C11H13N3O3S         (Mass of molecular ion:    267)

   Source Temperature: 150 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      15.0       6.5
      18.0       2.9
      27.0       3.1
      28.0       5.6
      38.0       3.1
      39.0      16.2
      40.0       3.6
      41.0      11.2
      42.0      19.6
      43.0      42.8
      44.0       1.5
      48.0       1.2
      50.0       1.6
      51.0       2.1
      52.0       5.4
      53.0       4.1
      54.0       3.1
      55.0       1.3
      56.0       1.3
      62.0       1.7
      63.0       5.9
      64.0       5.6
      65.0      46.6
      66.0       9.1
      67.0       5.4
      68.0       3.2
      69.0       7.9
      80.0       6.3
      81.0       1.6
      83.0       8.3
      90.0       1.6
      91.0       4.9
      92.0      64.1
      93.0      33.3
      94.0       2.5
     101.5       3.5
     108.0      78.0
     109.0       9.1
     110.0       1.9
     111.0      16.8
     112.0       5.6
     118.0       1.2
     123.0       1.2
     124.0       3.6
     125.0       4.0
     140.0      72.7
     141.0       8.0
     142.0       3.9
     156.0      88.4
     157.0      87.6
     158.0      11.0
     159.0       6.1
     172.0       1.2
     202.0       3.4
     203.0      19.5
     204.0       2.9
     267.0     100.0
     268.0      15.2
     269.0       5.2

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₁ H₁₃ N₃ O₃ S	0.040 g : 0.5 ml DMSO-d₆
N(1)-(4,5-dimethyl-2-oxazolyl)sulfanilamide

    Assign.     Shift(ppm)

      A            11.5
      B             7.499
      C             6.571
      C             5.79
      E             2.031
      F             1.933

     Hz     ppm     Int.

   3004.66   7.519     67
   3001.92   7.512    538
   3000.08   7.507    199
   2995.14   7.495    170
   2993.12   7.490    619
   2990.56   7.483     87
   2633.38   6.590     71
   2630.64   6.583    558
   2628.62   6.578    207
   2623.86   6.566    168
   2621.85   6.561    578
   2619.28   6.554     82
   2315.41   5.794    130
    812.71   2.034    913
    811.61   2.031   1000
    804.28   2.013     28
    802.64   2.009     23
    772.96   1.935    957
    771.86   1.932    977

KBr disc