Methyl L-tryptophanate hydrochloride(7524-52-9) MS
Product NameMethyl L-tryptophanate hydrochloride
CAS7524-52-9
Molecular FormulaC12H15ClN2O2
Molecular Weight254.71
InChIInChI=1/C12H14N2O2.ClH/c1-16-12(15)10(13)6-8-7-14-11-5-3-2-4-9(8)11;/h2-5,7,10,14H,6,13H2,1H3;1H/t10-;/s3
InChIKey XNFNGGQRDXFYMM-MEQOOBBNNA-N
SmilesC12C=CC=CC=1NC=C2C[C@H](N)C(=O)OC.Cl |&1:10,r|
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MassMS-IW-9104 L-tryptophan methyl ester hydrochloride C12H14N2O2 HCl (Mass of molecular ion: 218)
Source Temperature: 170 °C Sample Temperature: 140 °C Direct, 75 eV
28.0 2.4 35.0 1.0 36.0 9.4 38.0 3.1 51.0 1.2 77.0 5.3 79.0 1.9 79.5 3.2 88.0 1.1 89.0 1.2 102.0 1.9 103.0 4.8 117.0 2.3 128.0 1.4 129.0 2.4 130.0 100.0 131.0 11.4 132.0 2.3 158.0 1.4 159.0 4.2 218.0 6.6
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C12 H14 N2 O2 0.042 g : 0.5 ml DMSO-d6 L-tryptophan methyl ester hydrochloride 
Assign. Shift(ppm)
A 11.2 B 8.81 C 7.538 D 7.393 E 7.283 F 7.090 G 7.010 J 4.188 K 3.625 L *1 3.392 M *1 3.327
Hz ppm Int.4493.07 11.243 99 3522.84 8.815 174 3016.94 7.549 103 3009.06 7.530 112 2959.05 7.405 124 2951.00 7.384 144 2911.98 7.287 155 2909.60 7.281 157 2842.19 7.112 51 2841.10 7.109 57 2835.05 7.094 88 2834.14 7.092 112 2827.17 7.075 72 2826.08 7.072 71 2808.68 7.028 78 2807.76 7.026 84 2800.80 7.009 119 2799.88 7.006 98 2793.84 6.991 55 2792.74 6.988 54 1680.55 4.206 55 1673.78 4.189 91 1668.28 4.175 58 1448.85 3.626 1000 1368.44 3.425 32 1363.13 3.411 34 1353.78 3.388 76 1348.47 3.375 69 1337.85 3.348 73 1330.89 3.331 72 1323.01 3.311 34 1316.05 3.294 30
in DMSO-d6
KBr disc
nujol mull
