3-METHOXY-5-METHYLPHENOL(3209-13-0) MS

Product Name3-METHOXY-5-METHYLPHENOL

CAS 3209-13-0

Molecular FormulaC8H10O2

Molecular Weight138.16

InChIInChI=1S/C8H10O2/c1-6-3-7(9)5-8(4-6)10-2/h3-5,9H,1-2H3

InChIKey NOTCZLKDULMKBR-UHFFFAOYSA-N

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

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Mass

MS-NW-8834          
5-methoxy-m-cresol
C8H10O2             (Mass of molecular ion:    138)

   Source Temperature: 270 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       2.9
      28.0       1.1
      38.0       1.4
      39.0       7.3
      40.0       1.9
      41.0       5.8
      43.0       5.0
      50.0       1.7
      51.0       4.7
      52.0       2.3
      53.0       4.3
      55.0       6.2
      63.0       1.9
      65.0       4.4
      66.0       4.4
      67.0       8.5
      69.0       7.5
      77.0      10.2
      78.0       2.5
      79.0       9.0
      80.0       4.8
      81.0       3.1
      90.0       4.5
      91.0       4.6
      92.0       1.2
      93.0       1.0
      94.0       3.2
      95.0       9.5
     105.0       1.0
     107.0      29.6
     108.0      16.0
     109.0      31.1
     110.0       2.6
     121.0       1.3
     123.0       4.7
     137.0       7.8
     138.0     100.0
     139.0       9.3
     152.0       2.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₁₀ O₂	0.029 g : 0.5 ml CDCl₃
5-methoxy-m-cresol

    Assign.     Shift(ppm)

      A             6.324
      B             6.260
      C             6.231
      D             5.31
      E             3.747
      F             2.255

     Hz     ppm     Int.

   2527.47   6.325    115
   2526.61   6.323    108
   2503.42   6.265     83
   2501.83   6.261    125
   2501.22   6.259    121
   2500.49   6.257    107
   2492.43   6.237     93
   2490.23   6.232    142
   2488.04   6.226     68
   2123.29   5.313    267
   1497.44   3.747   1000
    901.37   2.256    672

in CDCl3