28657-75-2

6-氨基-3,4-亚甲二氧基苯乙酮(28657-75-2)红外图谱(IR1)

产品名称:6-氨基-3,4-亚甲二氧基苯乙酮

CAS:28657-75-2

分子式:C9H9NO3

分子量: 179.17

InChI:InChI=1S/C9H9NO3/c1-5(11)6-2-8-9(3-7(6)10)13-4-12-8/h2-3H,4,10H2,1H3

InChIKey: DWTHYSZSRJOMSC-UHFFFAOYSA-N

Smiles:C(=O)(C1=C(N)C=C2OCOC2=C1)C

Mass

MS2014-05011CW      
6-acetyl-1,3-benzodioxol-5-amine
C9H9NO3             (Mass of molecular ion:    179)

   Source Temperature: 250 °C
   Sample Temperature:  25 °C
   Direct, 70 eV

      18.0       2.6
      28.0       1.4
      39.0       2.7
      41.0       1.3
      43.0      10.3
      50.0       2.3
      51.0       6.1
      52.0       7.7
      53.0       3.0
      55.0       1.2
      57.0       1.2
      62.0       1.0
      63.0       1.2
      65.0       2.1
      66.0       1.3
      68.0       3.2
      69.0       1.6
      76.0       2.0
      77.0       2.1
      78.0       9.3
      79.0       4.2
      80.0       6.2
      81.0       1.4
      81.5       2.4
      82.0       2.3
      89.5       2.6
      92.0       1.4
      94.0       2.1
     106.0      12.8
     107.0       1.4
     108.0       1.3
     109.0       3.5
     120.0       2.4
     121.0       2.1
     134.0       2.0
     136.0      44.3
     137.0       3.8
     148.0       1.5
     149.0       1.0
     150.0       4.5
     164.0      96.8
     165.0      12.0
     166.0       1.3
     178.0       1.7
     179.0     100.0
     180.0      13.9
     181.0       1.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₉ N O₃	0.037 g : 0.5 ml CDCl₃
6-acetyl-1,3-benzodioxol-5-amine

    Assign.     Shift(ppm)

      A             7.072
      B             6.45
      C             6.133
      D             5.901
      E             2.472

     Hz     ppm     Int.

   2826.54   7.073    313
   2577.03   6.449     30
   2451.66   6.135    324
   2358.52   5.902    696
    988.28   2.473   1000

in CDCl3

KBr disc

nujol mull

更多供应商

重庆福腾医药有限公司黄金产品

Capot Chemical Co., Ltd