78622-21-6

2,6-二氯苯乙脒(78622-21-6)核磁图(¹HNMR)

产品名称:2,6-二氯苯乙脒

CAS:78622-21-6

分子式:C8H8Cl2N2

分子量: 203.07

InChI:InChI=1S/C8H8Cl2N2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H3,11,12)

InChIKey: OXTFFPWHLJQPEE-UHFFFAOYSA-N

Smiles:C1(CC(N)=N)=C(Cl)C=CC=C1Cl

Mass

MS-IW-2756          
2,6-dichlorophenylacetamidine hydrochloride
C8H8Cl2N2 HCl       (Mass of molecular ion:    202)

   Source Temperature: 150 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      17.0       1.1
      18.0       4.7
      28.0       2.4
      35.0       2.7
      36.0      23.3
      37.0       1.1
      38.0       7.6
      39.0       2.8
      42.0       1.5
      43.0      94.0
      44.0       2.8
      50.0       1.8
      51.0       2.0
      57.5       1.4
      61.0       1.9
      62.0       4.8
      63.0       8.6
      64.0       1.1
      65.0       1.0
      73.0       4.8
      74.0       1.7
      75.0       3.9
      76.0       1.1
      77.0       1.5
      83.0       1.9
      84.0       1.2
      85.0       1.3
      86.0       1.7
      87.0       2.7
      88.0       1.6
      89.0      13.8
      90.0       1.9
      97.0       1.8
      99.0       3.2
     104.0       1.2
     114.0       2.8
     123.0       7.4
     124.0       4.1
     125.0      23.5
     126.0       3.1
     127.0       7.0
     131.0       2.8
     132.0      20.4
     133.0       2.8
     135.0       1.1
     140.0       1.3
     150.0       2.6
     159.0      11.8
     160.0      12.1
     161.0       9.8
     162.0       7.9
     163.0       2.6
     164.0       1.3
     166.0       2.1
     167.0     100.0
     168.0      10.5
     169.0      32.6
     170.0       3.1
     185.0       1.4
     202.0       1.1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₈ H₈ Cl₂ N₂	0.043 g : 0.5 ml DMSO-d₆
2,6-dichlorophenylacetamidine hydrochloride

    Assign.     Shift(ppm)

      A     *1      9.22
      B     *1      9.00
      C             7.564
      D             7.464
      E             4.170

     Hz     ppm     Int.

   3685.30   9.222    173
   3595.43   8.997    175
   3028.26   7.578    424
   3027.34   7.575    454
   3019.56   7.556    806
   2989.81   7.482    326
   2982.64   7.464    247
   2980.96   7.459    229
   2973.79   7.441    160
   1666.56   4.171   1000

in DMSO-d6

KBr disc

nujol mull

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2,6-二氯苯乙脒(78622-21-6)核磁图(1HNMR)

2,6-二氯苯乙脒(78622-21-6)核磁图(¹HNMR)