D(+)-Phenylalaninol(5267-64-1) MS
Product NameD(+)-Phenylalaninol
CAS5267-64-1
Molecular FormulaC9H13NO
Molecular Weight151.21
InChIInChI=1/C9H13NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/s3
InChIKey STVVMTBJNDTZBF-DJEYLCQNNA-N
SmilesC(C1C=CC=CC=1)[C@@H](N)CO |&1:7,r|
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MassMS-IW-9101 (R)-(+)-2-amino-3-phenyl-1-propanol C9H13NO (Mass of molecular ion: 151)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.4 18.0 4.0 27.0 1.1 28.0 4.9 29.0 1.0 30.0 4.5 31.0 1.3 39.0 3.6 41.0 1.7 42.0 15.9 43.0 2.5 44.0 2.9 50.0 1.3 51.0 3.6 52.0 1.0 56.0 1.2 59.0 1.3 59.5 1.4 60.0 100.0 61.0 2.8 63.0 2.0 65.0 6.0 77.0 6.7 78.0 2.5 79.0 1.1 89.0 1.5 91.0 19.0 92.0 4.0 93.0 2.5 103.0 9.1 104.0 4.5 105.0 1.3 115.0 2.3 116.0 2.1 117.0 2.3 118.0 2.7 119.0 1.4 120.0 31.8 121.0 3.0 130.0 1.0 132.0 5.0 133.0 3.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H13 N O 0.042 g : 0.5 ml CDCl3 (R)-(+)-2-amino-3-phenyl-1-propanol 
Assign. Shift(ppm)
A 7.292 B 7.22 C 7.186 D *1 3.608 E *1 3.384 F 3.098 G *2 2.776 J *2 2.504
Hz ppm Int.2923.95 7.317 225 2922.85 7.314 359 2921.26 7.310 154 2917.60 7.301 261 2915.89 7.297 1000 2912.11 7.287 66 2909.67 7.281 340 2908.33 7.278 812 2891.85 7.236 184 2890.50 7.233 376 2889.16 7.230 273 2887.33 7.225 44 2885.38 7.220 135 2883.18 7.215 502 2880.86 7.209 147 2875.00 7.194 855 2873.54 7.191 938 2866.82 7.174 688 1450.07 3.629 392 1446.29 3.619 409 1439.33 3.602 496 1435.55 3.593 499 1361.08 3.406 441 1353.88 3.388 499 1350.34 3.379 364 1343.14 3.361 409 1250.49 3.129 107 1246.58 3.120 129 1245.36 3.117 143 1243.29 3.111 136 1241.70 3.107 234 1239.38 3.102 136 1238.04 3.098 252 1236.69 3.095 158 1234.50 3.089 220 1232.79 3.085 148 1230.71 3.080 129 1229.49 3.077 129 1225.59 3.067 103 1119.51 2.802 272 1114.38 2.789 255 1106.08 2.768 343 1100.95 2.755 316 1011.11 2.530 381 1002.32 2.508 362 997.56 2.497 311 988.89 2.475 289
in CDCl3
KBr disc
nujol mull
