Product NameDL-TRYPTOPHAN ETHYL ESTER HYDROCHLORIDE
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74
InChIInChI=1S/C13H16N2O2.ClH/c1-2-17-13(16)11(14)7-9-8-15-12-6-4-3-5-10(9)12;/h3-6,8,11,15H,2,7,14H2,1H3;1H
InChIKey PESYCVVSLYSXAK-UHFFFAOYSA-N
SmilesC12C=CC=CC=1NC=C2CC(N)C(=O)OCC.Cl
Mass
MS-NW-0478 DL-tryptophan ethyl ester hydrochloride C13H16N2O2 HCl (Mass of molecular ion: 232)
Source Temperature: 180 °C Sample Temperature: 130 °C Direct, 75 eV
28.0 2.5 29.0 1.5 30.0 1.7 36.0 5.9 38.0 1.9 74.0 1.9 77.0 4.4 79.5 1.6 102.0 2.3 103.0 3.8 117.0 1.9 129.0 1.8 130.0 100.0 131.0 12.3 132.0 2.7 158.0 2.5 159.0 7.8 160.0 1.0 232.0 9.9 233.0 1.6
400 MHz in DMSO-d6
1H NMR | 399.65 MHz |
C13 H16 N2 O2 | 0.040 g : 0.5 ml DMSO-d6 |
DL-tryptophan ethyl ester hydrochloride |
Assign. Shift(ppm) |
Hz ppm Int.
4487.58 11.229 162 4485.75 11.225 165 3514.42 8.794 207 3022.98 7.565 172 3015.29 7.545 188 2957.41 7.401 207 2949.35 7.380 240 2909.42 7.280 261 2907.04 7.274 261 2841.65 7.111 83 2840.55 7.108 95 2833.59 7.091 188 2826.63 7.073 116 2825.53 7.071 120 2807.39 7.025 123 2806.66 7.023 137 2799.52 7.005 196 2798.78 7.004 167 2792.56 6.988 87 2791.64 6.986 90 1663.70 4.163 88 1658.21 4.150 123 1656.56 4.146 141 1651.06 4.132 98 1632.93 4.086 32 1629.27 4.077 69 1626.88 4.071 83 1625.97 4.069 63 1622.12 4.059 226 1619.92 4.054 237 1614.98 4.041 245 1612.78 4.036 228 1608.93 4.026 57 1607.84 4.024 91 1605.82 4.019 74 1601.97 4.009 32 1325.76 3.318 110 1318.43 3.299 112 1311.11 3.281 67 1303.78 3.263 61 430.07 1.077 487 423.11 1.059 1000 415.97 1.041 476
in DMSO-d6
KBr disc
nujol mull
Atlas of Related Products
HomePage | Member Companies | Advertising | Contact us | Previous WebSite | MSDS | CAS Index | CAS DataBase
Copyright © 2017 ChemicalBook All rights reserved.