2-(2,6-DICHLORO-PHENYL)-ACETAMIDINE(78622-21-6) ¹³C NMR

Product Name2-(2,6-DICHLORO-PHENYL)-ACETAMIDINE

CAS 78622-21-6

Molecular FormulaC8H8Cl2N2

Molecular Weight203.07

InChIInChI=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

SmilesC1(CC(N)=N)=C(Cl)C=CC=C1Cl

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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-(2,6-DICHLORO-PHENYL)-ACETAMIDINE(78622-21-6) 13C NMR

2-(2,6-DICHLORO-PHENYL)-ACETAMIDINE(78622-21-6) ¹³C NMR