4506-71-2

2-氨基-4,5,6,7-四氫苯并噻酚-3-羧酸乙酯(4506-71-2)紅外圖譜(IR2)

產(chǎn)品名稱:2-氨基-4,5,6,7-四氫苯并噻酚-3-羧酸乙酯

CAS:4506-71-2

分子式:C11H15NO2S

分子量: 225.31

InChI:InChI=1S/C11H15NO2S/c1-2-14-11(13)9-7-5-3-4-6-8(7)15-10(9)12/h2-6,12H2,1H3

InChIKey: CDYVTVLXEWMCHU-UHFFFAOYSA-N

Smiles:C12CCCCC=1C(C(OCC)=O)=C(N)S2

Mass

MS-IW-8161          
ethyl 2-amino-4,5,6,7-tetrahydrobenzo(b)thiophene-3-carboxylate
C11H15NO2S          (Mass of molecular ion:    225)

   Source Temperature: 160 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      27.0       1.9
      28.0       1.1
      29.0       2.4
      39.0       2.6
      41.0       1.6
      45.0       2.3
      51.0       1.2
      52.0       1.0
      53.0       1.4
      60.0       1.7
      65.0       3.2
      66.0       2.1
      67.0       1.6
      69.0       1.0
      71.0       1.2
      76.0       1.2
      77.0       2.8
      78.0       1.9
      79.0       2.1
      80.0       1.1
      84.0       1.7
      89.0       1.0
      90.0       1.1
      91.0       5.7
      92.0       1.1
      96.0       1.3
      97.0       1.4
     111.0       1.4
     116.0       1.6
     117.0       1.8
     118.0       3.4
     119.0       2.6
     121.0       1.3
     122.0       1.1
     123.0       4.1
     124.0       3.8
     125.0       8.0
     136.0       1.0
     146.0       3.8
     150.0       3.0
     151.0      39.8
     152.0       5.6
     153.0       3.4
     168.0       1.0
     178.0      10.5
     179.0     100.0
     180.0      19.1
     181.0       6.0
     196.0       1.3
     197.0       2.7
     224.0       1.5
     225.0      48.4
     226.0       6.6
     227.0       2.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₁ H₁₅ N O₂ S	0.039 g : 0.5 ml CDCl₃
ethyl 2-amino-4,5,6,7-tetrahydrobenzo(b)thiophene-3-carboxylate

    Assign.     Shift(ppm)

      A             6.0
      B             4.254
      C             2.70
      D             2.49
      E             1.75
      F             1.330

     Hz     ppm     Int.

   1711.06   4.282    167
   1703.98   4.264    500
   1696.78   4.246    520
   1689.70   4.228    176
   1084.11   2.713    101
   1080.08   2.703    115
   1078.13   2.698    186
   1076.42   2.694    106
   1074.10   2.688     96
   1072.14   2.683    102
   1002.44   2.509     89
   1000.49   2.504     90
    998.29   2.498    103
    996.46   2.494    188
    994.51   2.489    119
    990.48   2.479    108
    711.55   1.781     94
    709.59   1.776     78
    707.89   1.772     86
    705.20   1.765    126
    703.86   1.762    143
    702.64   1.759    143
    699.83   1.752    147
    697.27   1.745    142
    695.92   1.742    146
    695.07   1.740    126
    694.46   1.738    117
    691.53   1.731     87
    690.19   1.727     82
    688.23   1.723     90
    538.70   1.348    528
    531.62   1.331   1000
    526.25   1.317     42
    524.41   1.313    522

in CDCl3