5020-41-7

3-METHOXYPHENETHYL ALCOHOL(5020-41-7) Raman

Product Name3-METHOXYPHENETHYL ALCOHOL

CAS 5020-41-7

Molecular FormulaC9H12O2

Molecular Weight152.19

InChIInChI=1S/C9H12O2/c1-11-9-4-2-3-8(7-9)5-6-10/h2-4,7,10H,5-6H2,1H3

InChIKey UPPGEJSCUZMCMW-UHFFFAOYSA-N

SmilesC1(CCO)=CC=CC(OC)=C1

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3-METHOXYPHENETHYL ALCOHOL(5020-41-7) Raman
Mass

MS-NW-5622          
m-methoxyphenethyl alcohol
C9H12O2             (Mass of molecular ion:    152)

   Source Temperature: 270 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       1.4
      18.0       1.3
      27.0       2.6
      28.0       3.2
      29.0       1.8
      31.0       5.6
      38.0       1.9
      39.0       8.6
      41.0       2.4
      43.0       1.4
      50.0       3.2
      51.0       7.4
      52.0       4.5
      53.0       2.6
      55.0       1.2
      62.0       1.5
      63.0       5.4
      64.0       2.6
      65.0      10.9
      66.0       1.1
      77.0      17.4
      78.0      14.0
      79.0       7.6
      89.0       4.4
      90.0       7.6
      91.0      43.2
      92.0       8.1
      93.0       1.9
     103.0       1.8
     104.0       1.3
     105.0       2.3
     106.0       3.2
     107.0      12.3
     108.0       9.4
     109.0      12.2
     110.0       1.0
     121.0     100.0
     122.0      63.0
     123.0       6.5
     124.0       3.5
     134.0       7.0
     135.0       1.6
     138.0       1.7
     150.0       1.0
     152.0      78.5
     153.0       7.8

90 MHz in CDCl3

3-METHOXYPHENETHYL ALCOHOL(5020-41-7) Raman

¹H NMR	89.56 MHz
C₉ H₁₂ O₂	0.04 ml : 0.5 ml CDCl₃
m-methoxyphenethyl alcohol

    Assign.     Shift(ppm)

      A             7.21
      B             6.81
      C             6.77
      D             6.77
      E             3.82
      F             3.782
      G             2.823
      J             1.78
     
     CONFIRMED BY LAOCN PROGRAM.

     Hz     ppm     Int.

    646.81   7.223     40
    645.88   7.212     40
    638.75   7.133     56
    612.94   6.844     62
    611.63   6.830     75
    609.06   6.801     79
    607.56   6.784     92
    606.81   6.776     84
    606.31   6.770     84
    604.69   6.752    136
    602.88   6.732     57
    349.38   3.902     71
    342.50   3.825    160
    338.75   3.783   1000
    336.19   3.754    112
    259.06   2.893     77
    252.56   2.821    132
    245.88   2.746     58
    159.25   1.779    205

in CDCl3