N-ACETYL-D-PHENYLALANINE(10172-89-1) MS
Product NameN-ACETYL-D-PHENYLALANINE
CAS10172-89-1
Molecular FormulaC11H13NO3
Molecular Weight207.23
InChIInChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m1/s1
InChIKey CBQJSKKFNMDLON-SNVBAGLBSA-N
SmilesC(O)(=O)[C@@H](CC1=CC=CC=C1)NC(C)=O
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MassMS-NW-2472 N-acetyl-D-phenylalanine C11H13NO3 (Mass of molecular ion: 207)
Source Temperature: 220 °C Sample Temperature: 130 °C Direct, 75 eV
15.0 2.1 17.0 1.8 18.0 9.5 27.0 1.1 28.0 1.9 39.0 3.6 41.0 1.1 42.0 1.4 43.0 24.9 50.0 1.4 51.0 3.6 52.0 1.0 63.0 2.1 65.0 6.2 74.0 4.6 77.0 3.0 78.0 1.8 89.0 1.6 90.0 1.1 91.0 100.0 92.0 8.8 103.0 2.3 104.0 2.6 117.0 1.7 118.0 2.2 119.0 3.5 120.0 2.8 130.0 1.1 147.0 3.3 148.0 9.7 149.0 1.0 161.0 1.1 189.0 9.7 190.0 1.3
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C11 H13 N O3 0.040 g : 0.5 ml DMSO-d6 N-acetyl-D-phenylalanine 
Assign. Shift(ppm)
A 12.7 B 8.21 C 7.28 D 7.24 E 7.21 F 4.417 G *1 3.046 J *1 2.844 K 1.786
Hz ppm Int.3284.91 8.220 87 3276.85 8.200 90 2919.12 7.305 42 2918.03 7.302 73 2916.56 7.298 35 2910.70 7.284 181 2909.78 7.281 147 2905.75 7.271 65 2903.74 7.266 214 2895.68 7.246 173 2894.03 7.242 277 2887.07 7.224 176 2881.76 7.211 46 2879.38 7.205 108 2872.42 7.188 37 1776.72 4.446 34 1771.77 4.434 42 1768.66 4.426 44 1767.19 4.422 56 1763.71 4.414 51 1762.24 4.410 49 1759.13 4.402 46 1754.19 4.390 37 1227.95 3.073 50 1223.00 3.061 52 1214.03 3.038 69 1209.27 3.026 66 1147.54 2.872 71 1138.01 2.848 72 1133.80 2.837 56 1124.09 2.813 52 713.98 1.787 1000
in DMSO-d6
KBr disc
nujol mull
4880 A,200 M,powder
