82514-58-7

2-氨基-5,6-二氢-4H-环戊并噻唑盐酸盐(82514-58-7)红外图谱(IR2)

产品名称:2-氨基-5,6-二氢-4H-环戊并噻唑盐酸盐

CAS:82514-58-7

分子式:C6H8N2S.ClH

分子量: 176.67

InChI:InChI=1S/C6H8N2S.ClH/c7-6-8-4-2-1-3-5(4)9-6;/h1-3H2,(H2,7,8);1H

InChIKey: XKEVCDYDIQVBRN-UHFFFAOYSA-N

Smiles:C12CCCC=1SC(N)=N2.Cl

Mass

MS-NW-6267          
2-amino-5,6-dihydro-4H-cyclopentathiazole hydrochloride
C6H8N2S HCl         (Mass of molecular ion:    140)

   Source Temperature: 180 °C
   Sample Temperature: 210 °C
   Direct, 75 eV

      17.0       1.9
      18.0       6.5
      26.0       2.1
      27.0       6.7
      28.0       7.3
      32.0       1.0
      35.0       5.7
      36.0      23.9
      37.0       1.8
      38.0       8.5
      39.0      10.7
      40.0       2.8
      41.0       4.3
      42.0       2.7
      43.0       6.3
      45.0      10.2
      47.0       1.2
      50.0       2.0
      51.0       4.2
      52.0       5.4
      53.0      11.0
      54.0       8.8
      55.0       3.1
      56.0       1.1
      57.0       3.6
      58.0      11.1
      59.0       4.1
      60.0      11.7
      61.0       1.9
      62.0       1.3
      63.0       1.9
      64.0       1.1
      65.0       5.4
      66.0       1.7
      67.0       3.2
      68.0       1.2
      69.0      11.5
      70.0      11.5
      71.0       8.6
      72.0       2.8
      73.0       1.0
      78.0       1.5
      79.0       2.1
      80.0      16.0
      81.0      36.6
      82.0       3.1
      83.0       1.6
      84.0       1.1
      85.0       2.3
      86.0       3.5
      95.0       1.2
      96.0       2.1
      97.0      28.5
      98.0      11.0
      99.0       2.6
     105.0       1.2
     106.0       1.3
     107.0      12.4
     108.0       1.3
     112.0       6.2
     113.0       4.2
     114.0       1.3
     123.0       1.5
     125.0       1.3
     138.0       1.1
     139.0      61.2
     140.0     100.0
     141.0      10.3
     142.0       4.9

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₆ H₈ N₂ S	0.040 g : 0.5 ml DMSO-d₆
2-amino-5,6-dihydro-4H-cyclopentathiazole hydrochloride

    Assign.     Shift(ppm)

      A             9.42
      B     *1      2.70
      C     *1      2.66
      D             2.354

     Hz     ppm     Int.

   3765.11   9.422    434
   1085.21   2.716    550
   1083.07   2.711    520
   1081.54   2.707    532
   1078.34   2.699   1000
   1074.37   2.689    611
   1071.32   2.681    969
   1069.34   2.676    939
   1062.32   2.659    945
   1056.37   2.644    589
   1054.23   2.638    623
   1048.28   2.623     56
    954.13   2.388    292
    950.78   2.380    189
    946.66   2.369    722
    943.91   2.362    345
    939.79   2.352    979
    935.67   2.342    350
    932.46   2.334    579
    925.45   2.316    209
    921.48   2.306     51
    920.72   2.304     50
    914.31   2.288     31

in DMSO-d6