2-CHLORO-4-METHOXYPHENOL(18113-03-6) IR2

Product Name2-CHLORO-4-METHOXYPHENOL

CAS 18113-03-6

Molecular FormulaC7H7ClO2

Molecular Weight158.58

InChIInChI=1S/C7H7ClO2/c1-10-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3

InChIKey GNVRRKLFFYSLGT-UHFFFAOYSA-N

SmilesC1(O)=CC=C(OC)C=C1Cl

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Mass

MS-IW-9532          
2-chloro-4-methoxyphenol
C7H7ClO2            (Mass of molecular ion:    158)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.5
      26.0       2.5
      27.0       1.0
      28.0       2.7
      29.0       1.5
      36.0       1.3
      37.0       1.5
      38.0       1.9
      39.0       3.0
      49.0       1.2
      50.0       3.8
      51.0      16.9
      52.0       5.3
      53.0      16.0
      54.0       3.1
      55.0       2.0
      60.0       1.8
      61.0       2.9
      62.0       4.5
      63.0       7.5
      64.0       1.9
      65.0       2.9
      73.0       3.0
      74.0       1.0
      75.0       1.4
      79.0      22.4
      80.0       2.3
      86.0       1.0
      87.0       2.8
      89.0       1.3
      91.0       1.7
      99.0       2.5
     107.0      39.2
     108.0       4.0
     115.0       5.7
     117.0       1.9
     128.0       1.1
     129.0       1.8
     143.0     100.0
     144.0       7.0
     145.0      32.5
     146.0       2.2
     157.0       2.2
     158.0      74.4
     159.0       6.7
     160.0      24.3
     161.0       1.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₇ Cl O₂	0.040 g : 0.5 ml CDCl₃
2-chloro-4-methoxyphenol

    Assign.     Shift(ppm)

      A             6.932
      B             6.876
      C             6.751
      D             5.29
      E             3.746

     Hz     ppm     Int.

   2775.51   6.945    181
   2766.60   6.923    228
   2749.76   6.881    180
   2746.83   6.874    198
   2703.61   6.765    117
   2700.68   6.758    103
   2694.70   6.743     92
   2691.77   6.736     83
   2112.79   5.287    310
   1497.31   3.747   1000

in CDCl3