L-(-)-3-Phenyllactic acid(20312-36-1) MS
Product NameL-(-)-3-Phenyllactic acid
CAS20312-36-1
Molecular FormulaC9H10O3
Molecular Weight166.17
InChIInChI=1/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/s3
InChIKey VOXXWSYKYCBWHO-SBYBRXNCNA-N
SmilesC1(=CC=CC=C1)C[C@H](O)C(=O)O |&1:7,r|
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MassMS-IW-4953 L-(-)-2-hydroxy-3-phenylpropionic acid C9H10O3 (Mass of molecular ion: 166)
Source Temperature: 150 °C Sample Temperature: 130 °C Direct, 75 eV
39.0 2.7 50.0 1.0 51.0 3.1 63.0 1.6 65.0 7.9 77.0 4.7 78.0 1.7 79.0 1.3 89.0 1.4 91.0 100.0 92.0 10.1 103.0 8.2 121.0 5.8 147.0 3.7 148.0 22.2 149.0 2.2 166.0 7.1
90 MHz in DMSO-d6
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1H NMR 89.56 MHz C9 H10 O3 0.043 g : 0.5 ml DMSO-d6 L-(-)-2-hydroxy-3-phenylpropionic acid 
Assign. Shift(ppm)
A 12. B 7.25 C 4.162 D *1 2.95 E *1 2.82 J(D,E)=-13.9HZ, J(C,D)=4.8HZ, J(C,E)=8.0HZ
Hz ppm Int.655.76 7.323 23 652.15 7.282 88 650.88 7.268 190 648.93 7.246 1000 647.27 7.228 320 642.38 7.173 49 641.31 7.161 38 640.14 7.148 38 379.69 4.240 50 374.80 4.185 61 371.78 4.152 75 366.99 4.098 65 273.63 3.056 25 264.55 2.954 96 262.50 2.931 31 259.57 2.899 112 258.69 2.889 128 250.68 2.800 89 244.82 2.734 26 236.91 2.646 25
in D2O
KBr disc
nujol mull
4880 A,200 M,powder
