65262-96-6

3-氯-5-甲氧基苯酚(65262-96-6)紅外圖譜(IR2)

產(chǎn)品名稱:3-氯-5-甲氧基苯酚

CAS:65262-96-6

分子式:C7H7ClO2

分子量: 158.58

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

InChIKey: LZVYZZFCAMPFOQ-UHFFFAOYSA-N

Smiles:C1(O)=CC(OC)=CC(Cl)=C1

Mass

MS-NW-7105          
3-chloro-5-methoxyphenol
C7H7ClO2            (Mass of molecular ion:    158)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       3.0
      18.0       1.0
      26.0       1.2
      27.0       1.7
      28.0       2.9
      29.0       2.7
      36.0       1.0
      37.0       3.3
      38.0       6.0
      39.0       6.2
      41.0       1.7
      42.0       1.1
      43.0       1.4
      49.0       1.6
      50.0       6.0
      51.0      22.0
      52.0       3.7
      53.0       5.2
      55.0       2.5
      60.0       1.3
      61.0       4.5
      62.0       6.3
      63.0      11.4
      64.0       7.2
      65.0      17.6
      66.0       2.5
      67.0       1.8
      69.0      16.4
      73.0       5.8
      74.0       1.5
      75.0       2.0
      77.0       2.9
      79.0       8.0
      80.0       1.7
      86.0       1.6
      87.0       9.5
      88.0       1.2
      89.0       4.2
      92.0       2.9
      93.0      10.8
      94.0       4.4
      95.0       9.6
      99.0       4.7
     100.0       7.6
     101.0       2.1
     102.0       2.7
     108.0       2.8
     114.0       1.6
     115.0      14.9
     116.0       1.4
     117.0       5.0
     123.0       1.2
     127.0       2.6
     128.0      55.0
     129.0      27.4
     130.0      19.8
     131.0       8.7
     157.0       4.2
     158.0     100.0
     159.0       8.9
     160.0      32.0
     161.0       2.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₇ Cl O₂	0.040 g : 0.5 ml CDCl₃
3-chloro-5-methoxyphenol

    Assign.     Shift(ppm)

      A     *1      6.506
      B     *1      6.457
      C             6.294
      D             5.29
      E             3.761

     Hz     ppm     Int.

   2602.42   6.512    108
   2600.59   6.508    146
   2598.51   6.502    124
   2582.64   6.463    141
   2580.93   6.458    145
   2580.44   6.457    167
   2578.74   6.453    123
   2517.21   6.299    124
   2515.01   6.294    215
   2512.70   6.288    107
   2112.43   5.286    229
   1503.05   3.761   1000

in CDCl3