18113-03-6

2-氯-4甲氧基苯酚(18113-03-6)紅外圖譜(IR1)

產品名稱:2-氯-4甲氧基苯酚

CAS:18113-03-6

分子式:C7H7ClO2

分子量: 158.58

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

InChIKey: GNVRRKLFFYSLGT-UHFFFAOYSA-N

Smiles:C1(O)=CC=C(OC)C=C1Cl

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