3-chloro-5-methoxyphenol(65262-96-6) IR1

Product Name3-chloro-5-methoxyphenol

CAS 65262-96-6

Molecular FormulaC7H7ClO2

Molecular Weight158.58

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

InChIKey LZVYZZFCAMPFOQ-UHFFFAOYSA-N

SmilesC1(O)=CC(OC)=CC(Cl)=C1

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3-chloro-5-methoxyphenol(65262-96-6) IR1
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

3-chloro-5-methoxyphenol(65262-96-6) IR1

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