7147-89-9

4-CHLORO-6-NITRO-M-CRESOL(7147-89-9) IR2

Product Name4-CHLORO-6-NITRO-M-CRESOL

CAS 7147-89-9

Molecular FormulaC7H6ClNO3

Molecular Weight187.58

InChIInChI=1S/C7H6ClNO3/c1-4-2-7(10)6(9(11)12)3-5(4)8/h2-3,10H,1H3

InChIKey JBMGJOKJUYGIJH-UHFFFAOYSA-N

SmilesC1(O)=CC(C)=C(Cl)C=C1[N+]([O-])=O

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4-CHLORO-6-NITRO-M-CRESOL(7147-89-9) IR2
Mass

MS-IW-0709          
4-chloro-6-nitro-m-cresol
C7H6ClNO3           (Mass of molecular ion:    187)

   Source Temperature: 130 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      28.0       1.1
      30.0       1.0
      39.0       2.0
      50.0       2.1
      51.0       7.6
      52.0       1.2
      53.0       2.5
      63.0       1.6
      65.0       2.6
      73.0       1.1
      75.0       2.3
      76.0       1.1
      77.0      21.8
      78.0       3.5
      87.0       1.0
      89.0       1.2
      90.0       2.3
      94.0       1.2
      99.0       1.0
     105.0       1.1
     111.0       1.1
     112.0       2.9
     113.0       4.0
     114.0       1.2
     115.0       1.3
     129.0       4.5
     131.0       1.5
     139.0       1.4
     141.0       7.9
     142.0       2.0
     143.0       2.5
     157.0       4.5
     159.0       1.5
     170.0       4.7
     172.0       1.5
     187.0     100.0
     188.0       8.1
     189.0      32.6
     190.0       2.7

400 MHz in CDCl3

4-CHLORO-6-NITRO-M-CRESOL(7147-89-9) IR2

¹H NMR	399.65 MHz
C₇ H₆ Cl N O₃	0.041 g : 0.5 ml CDCl₃
4-chloro-6-nitro-m-cresol

    Assign.     Shift(ppm)

      A            10.43
      B             8.078
      C             7.047
      D             2.417

     Hz     ppm     Int.

   4170.33  10.435    622
   3228.49   8.079    414
   2817.10   7.049    281
   2816.73   7.048    291
   2816.37   7.048    278
    966.57   2.419    983
    966.20   2.418   1000
    965.84   2.417    943

in CDCl3