色醇(526-55-6)紅外圖譜(IR2)

產(chǎn)品名稱:色醇

CAS:526-55-6

分子式:C10H11NO

分子量: 161.2

InChI:InChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2

InChIKey: MBBOMCVGYCRMEA-UHFFFAOYSA-N

Smiles:N1C2=C(C=CC=C2)C(CCO)=C1

Mass

MS-NW-1953          
3-indoleethanol
C10H11NO            (Mass of molecular ion:    161)

   Source Temperature: 170 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       1.8
      39.0       1.1
      50.0       1.0
      51.0       2.1
      63.0       1.2
      75.0       1.0
      76.0       1.2
      77.0       7.3
     102.0       2.8
     103.0       6.1
     115.0       1.7
     117.0       1.3
     128.0       1.7
     129.0       2.8
     130.0     100.0
     131.0      10.4
     143.0       2.5
     161.0      29.3
     162.0       3.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₁ N O	0.040 g : 0.5 ml CDCl₃
3-indoleethanol

    Assign.     Shift(ppm)

      A             8.1
      B             7.569
      C             7.27
      D             7.18
      E             7.10
      F             6.899
      G             3.833
      J             2.964
      K             1.90

     Hz     ppm     Int.

    725.50   8.101     76
    684.00   7.638    106
    683.19   7.629    170
    682.31   7.619    162
    681.44   7.609    106
    679.38   7.586    106
    678.75   7.579    103
    677.00   7.560    212
    676.38   7.553    142
    674.94   7.537    171
    674.19   7.528    251
    673.38   7.519    164
    671.19   7.495     50
    670.56   7.488     46
    657.81   7.345     60
    656.88   7.335     58
    654.38   7.307    122
    653.69   7.299    105
    652.00   7.281    161
    649.38   7.251    361
    647.81   7.234    732
    646.88   7.223    454
    645.44   7.207    236
    643.63   7.187    590
    642.56   7.175    262
    641.56   7.164    925
    637.63   7.120    384
    634.50   7.085    401
    632.00   7.057    268
    628.31   7.016    105
    625.88   6.989     61
    619.13   6.914    411
    618.31   6.904    277
    616.75   6.887    404
    350.31   3.912    416
    348.00   3.886     37
    343.63   3.837   1000
    337.56   3.770    614
    271.56   3.033    403
    267.94   2.992     44
    265.69   2.967    631
    264.94   2.959    760
    260.88   2.913     39
    258.75   2.890    311
    170.44   1.904    402
    165.00   1.843     30

in CDCl3