5-METHOXY-DL-TRYPTOPHAN(28052-84-8) IR2
Product Name5-METHOXY-DL-TRYPTOPHAN
CAS28052-84-8
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
-
MassMS-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
-
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
KBr disc
nujol mull
