28052-84-8

5-METHOXY-DL-TRYPTOPHAN(28052-84-8) Raman

Molecular FormulaC12H14N2O3

Molecular Weight234.25

InChIInChI=1S/C12H14N2O3/c1-17-8-2-3-11-9(5-8)7(6-14-11)4-10(13)12(15)16/h2-3,5-6,10,14H,4,13H2,1H3,(H,15,16)/t10-/m0/s1

InChIKey KVNPSKDDJARYKK-JTQLQIEISA-N

SmilesC(O)(=O)[C@H](CC1C2=C(C=CC(OC)=C2)NC=1)N

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5-METHOXY-DL-TRYPTOPHAN(28052-84-8) Raman
Mass

MS-NW-7542          
5-methoxy-DL-tryptophan
C12H14N2O3          (Mass of molecular ion:    234)

   Source Temperature: 230 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      28.0       2.9
      51.0       1.1
      63.0       1.5
      73.0       1.4
      77.0       1.2
      87.0       1.6
      89.0       2.7
      90.0       2.4
      91.0       1.1
      94.5       1.3
     102.0       1.0
     116.0       1.7
     117.0       7.7
     118.0       1.8
     129.0       1.5
     130.0       1.6
     132.0       1.0
     144.0       1.7
     145.0      13.2
     146.0       3.1
     147.0       1.4
     159.0       2.3
     160.0     100.0
     161.0      12.3
     162.0       1.6
     173.0       1.4
     188.0       1.6
     189.0       2.5
     234.0       6.2

400 MHz in DMSO-d6

5-METHOXY-DL-TRYPTOPHAN(28052-84-8) Raman

¹H NMR	399.65 MHz
C₁₂ H₁₄ N₂ O₃	saturated in DMSO-d₆
5-methoxy-DL-tryptophan

    Assign.     Shift(ppm)

      A            10.9
      B             7.244
      C             7.206
      D             7.107
      E             6.704
      F             3.746
      G             3.518
      J     *1      3.286
      K     *1      2.996

     Hz     ppm     Int.

   4356.80  10.902     74
   2899.71   7.256    153
   2891.10   7.235    169
   2881.03   7.209    104
   2878.83   7.204    105
   2841.83   7.111    117
   2839.45   7.105    121
   2685.04   6.719     93
   2682.66   6.713     89
   2676.25   6.697     87
   2673.86   6.691     89
   1497.57   3.748   1000
   1493.54   3.738     44
   1413.50   3.537     32
   1413.13   3.536     32
   1412.58   3.535     32
   1412.21   3.534     31
   1409.28   3.527     38
   1408.37   3.525     36
   1404.89   3.516     40
   1402.87   3.511     33
   1401.04   3.506     38
   1323.38   3.312     34
   1319.53   3.302     34
   1319.17   3.301     35
   1308.18   3.274     44
   1304.33   3.264     39
   1208.72   3.025     44
   1199.92   3.003     44
   1193.51   2.987     39
   1184.90   2.965     34

in DMSO-d6