81-16-3

2-萘胺-1-磺酸(81-16-3)核磁圖(¹HNMR)

產(chǎn)品名稱:2-萘胺-1-磺酸

CAS:81-16-3

分子式:C10H9NO3S

分子量: 223.25

InChI:InChI=1S/C10H9NO3S/c11-9-6-5-7-3-1-2-4-8(7)10(9)15(12,13)14/h1-6H,11H2,(H,12,13,14)

InChIKey: GWIAAIUASRVOIA-UHFFFAOYSA-N

Smiles:C1(S(O)(=O)=O)=C2C(C=CC=C2)=CC=C1N

Mass

MS-NW-0297          
tobias acid
C10H9NO3S           (Mass of molecular ion:    223)

   Source Temperature: 200 °C
   Sample Temperature:   0 °C
   Direct, 75 eV

      18.0       1.0
      28.0       1.0
      39.0       1.6
      48.0       3.9
      50.0       1.1
      51.0       1.4
      57.5       1.2
      58.5       2.3
      62.0       1.5
      63.0       3.0
      64.0       4.7
      65.0       1.5
      70.5       2.9
      71.5       5.3
      74.0       1.0
      75.0       1.0
      80.0       7.4
      88.0       1.0
      89.0       3.3
     113.0       1.4
     114.0       2.2
     115.0      30.2
     116.0      12.7
     117.0       2.0
     126.0       1.8
     140.0       1.6
     141.0       1.5
     142.0       4.2
     143.0     100.0
     144.0      11.6

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₀ H₉ N O₃ S	0.037 g : 0.5 ml DMSO-d₆
tobias acid

    Assign.     Shift(ppm)

      A             9.4
      B             9.013
      C             8.048
      D             7.943
      E             7.628
      F             7.567
      G             7.372

     Hz     ppm     Int.

   3767.70   9.428    111
   3605.65   9.023    539
   3597.56   9.002    532
   3596.80   9.000    552
   3220.83   8.060    670
   3212.13   8.038    714
   3178.71   7.954    459
   3171.39   7.936    495
   3170.32   7.933    492
   3058.17   7.653    225
   3056.64   7.649    257
   3054.20   7.643     63
   3051.30   7.635    400
   3049.77   7.632    492
   3047.94   7.627    276
   3042.60   7.614    404
   3041.08   7.610    382
   3037.72   7.601     46
   3031.46   7.586    407
   3030.09   7.582    444
   3024.60   7.569    321
   3023.38   7.566    558
   3022.16   7.563    444
   3016.51   7.548    246
   3015.29   7.545    235
   2950.59   7.383   1000
   2946.47   7.373     57
   2945.71   7.371     57
   2941.89   7.362    955

in DMSO-d6