N-ACETYL-5-HYDROXYTRYPTAMINE(1210-83-9) IR1

Product NameN-ACETYL-5-HYDROXYTRYPTAMINE

CAS 1210-83-9

Molecular FormulaC12H14N2O2

Molecular Weight218.25

InChIInChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)

InChIKey MVAWJSIDNICKHF-UHFFFAOYSA-N

SmilesC(NCCC1C2=C(NC=1)C=CC(O)=C2)(=O)C

Request For Quotation

Mass

MS-IW-2418          
N-acetyl-5-hydroxytryptamine
C12H14N2O2          (Mass of molecular ion:    218)

   Source Temperature: 130 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      28.0       1.7
      30.0       4.9
      39.0       1.1
      43.0       4.6
      51.0       1.0
      63.0       1.4
      65.0       2.9
      77.0       1.4
      89.0       2.2
      90.0       1.8
      91.0       4.8
     117.0       4.9
     118.0       3.2
     128.0       1.3
     130.0       2.3
     131.0       1.8
     133.0       1.4
     145.0       3.7
     146.0      93.5
     147.0      10.4
     148.0       1.2
     158.0       3.5
     159.0     100.0
     160.0      11.9
     161.0       1.0
     175.0       2.4
     218.0      28.7
     219.0       4.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₂ H₁₄ N₂ O₂	0.038 g : 0.5 ml DMSO-d₆
N-acetyl-5-hydroxytryptamine

    Assign.     Shift(ppm)

      A            10.49
      B             8.62
      C             7.94
      D             7.130
      E             7.041
      F             6.835
      G             6.604
      J             3.287
      K             2.723
      L             1.820
     
     J(A,E)=2.4HZ
     J(C,J)=5.2HZ
     J(D,G)=8.6HZ
     J(F,G)=2.4HZ

     Hz     ppm     Int.

   4191.21  10.488     86
   4189.93  10.485     88
   3443.35   8.616    420
   3177.57   7.951     35
   3172.08   7.938     67
   3166.58   7.924     37
   2854.10   7.142    163
   2845.49   7.120    179
   2815.27   7.045    139
   2812.89   7.039    140
   2733.03   6.839    156
   2730.65   6.833    163
   2644.74   6.618    103
   2642.36   6.612     99
   2636.13   6.597     97
   2633.75   6.591     95
   1324.66   3.315     51
   1317.70   3.298     98
   1311.47   3.282     95
   1310.19   3.279     97
   1303.96   3.263     60
   1095.89   2.743    101
   1088.19   2.723    148
   1080.87   2.705     91
    727.72   1.821   1000

in DMSO-d6