3-Aminobenzylalcohol(1877-77-6) ¹³C NMR

Product Name3-Aminobenzylalcohol

CAS 1877-77-6

Molecular FormulaC7H9NO

Molecular Weight123.15

InChIInChI=1S/C7H9NO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5,8H2

InChIKey OJZQOQNSUZLSMV-UHFFFAOYSA-N

SmilesC1(CO)=CC=CC(N)=C1

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Mass

MS2014-05061CW      
m-aminobenzyl alcohol
C7H9NO              (Mass of molecular ion:    123)

   Source Temperature: 245 °C
   Sample Temperature:  20 °C
   Direct, 70 eV

      28.0       1.7
      38.0       1.4
      39.0       5.1
      40.0       1.0
      41.0       2.5
      50.0       1.5
      51.0       3.5
      52.0       2.9
      53.0       1.5
      54.0       1.4
      61.0       1.9
      62.0       1.3
      63.0       2.8
      64.0       1.7
      65.0       9.0
      66.0       4.8
      67.0       3.4
      76.0       1.0
      77.0      24.8
      78.0       6.8
      79.0       5.1
      80.0       1.7
      91.0       1.0
      92.0       8.2
      93.0       9.6
      94.0      65.9
      95.0       5.2
     104.0       8.7
     105.0      10.2
     106.0      18.9
     107.0       2.9
     120.0       3.0
     121.0       1.8
     122.0      21.6
     123.0     100.0
     124.0       8.1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₉ N O	0.039 g : 0.5 ml DMSO-d₆
m-aminobenzyl alcohol

    Assign.     Shift(ppm)

      A             6.943
      B             6.552
      C             6.451
      D             6.421
      E             5.00
      F             4.96
      G             4.350

     Hz     ppm     Int.

   2782.96   6.964    402
   2775.27   6.945    782
   2771.36   6.935     30
   2767.58   6.926    467
   2618.65   6.553    634
   2616.94   6.549    456
   2582.40   6.462    432
   2581.79   6.461    415
   2574.83   6.443    406
   2574.34   6.442    406
   2571.66   6.435    347
   2571.17   6.434    336
   2570.68   6.433    335
   2569.34   6.429    323
   2563.72   6.415    298
   2563.23   6.414    295
   2562.74   6.413    297
   2561.40   6.410    301
   1998.05   5.000    218
   1997.80   4.999    218
   1980.71   4.957    656
   1738.53   4.351   1000

in DMSO-d6