4-AMINO-L-PHENYLALANINE HYDROCHLORIDE HEMIHYDRATE(24286-13-3) 13C NMR
Product Name4-AMINO-L-PHENYLALANINE HYDROCHLORIDE HEMIHYDRATE
CAS24286-13-3
Molecular FormulaC18H27ClN4O5
Molecular Weight414.88
InChIInChI=1/2C9H12N2O2.ClH.H2O/c2*10-7-3-1-6(2-4-7)5-8(11)9(12)13;;/h2*1-4,8H,5,10-11H2,(H,12,13);1H;1H2/t2*8-;;/s3
InChIKey LVCNYJHEXVGOCY-IKMRLYORNA-N
Smiles[C@H](N)(CC1C=CC(N)=CC=1)C(=O)O.[C@H](N)(CC1C=CC(N)=CC=1)C(=O)O.O.Cl |&1:0,13,r|
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MassMS-NW-9270 4-amino-L-phenylalanine hydrochloride C9H12N2O2 HCl H2O (Mass of molecular ion: 180)
Source Temperature: 220 °C Sample Temperature: 180 °C Direct, 75 eV
36.0 3.5 38.0 1.2 67.0 1.2 67.5 1.0 77.0 3.3 78.0 1.1 79.0 3.0 91.0 1.0 93.0 1.3 106.0 100.0 107.0 9.0 118.0 2.4 134.0 1.4 135.0 1.8 180.0 5.8
400 MHz in D2O
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1H NMR 399.65 MHz C9 H12 N2 O2 0.038 g : 0.5 ml D2O 4-amino-L-phenylalanine hydrochloride 
Assign. Shift(ppm)
A 7.404 B 7.349 C 4.011 D *1 3.256 E *1 3.187 SOLVENT PEAK REMOVED
Hz ppm Int.2967.41 7.426 52 2965.09 7.420 420 2963.01 7.415 191 2958.74 7.404 229 2956.42 7.398 886 2942.26 7.363 155 2940.06 7.357 1000 2937.87 7.352 285 2933.59 7.341 193 2931.40 7.335 516 2929.20 7.330 73 1609.99 4.029 249 1604.25 4.015 307 1602.78 4.011 369 1596.92 3.996 276 1314.33 3.289 105 1308.47 3.275 107 1299.80 3.253 254 1294.07 3.239 242 1281.49 3.207 259 1274.29 3.189 249 1267.09 3.171 111 1259.77 3.153 107
in D2O
KBr disc
nujol mull
