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Back ChemicalBook Home>CAS DataBase List>65262-96-6More Spectrum> 3-chloro-5-methoxyphenol(65262-96-6) 13C NMR

3-chloro-5-methoxyphenol(65262-96-6) 13C NMR

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


  • 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
    ChemicalStructure
        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



KBr disc



nujol mull



4880 A,200 M,powder



3-chloro-5-methoxyphenol(65262-96-6) 13C NMR Atlas of Related Products

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