(4S)-2-Ethyl-5α-phenyl-2-oxazoline-4β-methanol(51594-33-3) 1H NMR
Product Name(4S)-2-Ethyl-5α-phenyl-2-oxazoline-4β-methanol
CAS51594-33-3
Molecular FormulaC12H15NO2
Molecular Weight205.25
InChIInChI=1S/C12H15NO2/c1-2-11-13-10(8-14)12(15-11)9-6-4-3-5-7-9/h3-7,10,12,14H,2,8H2,1H3/t10-,12-/m0/s1
InChIKey GZOYBTRDWOUZTG-JQWIXIFHSA-N
SmilesO1[C@@H](C2=CC=CC=C2)[C@H](CO)N=C1CC
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MassMS-NW-6878 (4S,5S)-(-)-2-ethyl-5-phenyl-2-oxazoline-4-methanol C12H15NO2 (Mass of molecular ion: 205)
Source Temperature: 140 °C Sample Temperature: 100 °C Direct, 75 eV
18.0 2.0 27.0 4.8 28.0 4.3 29.0 14.7 31.0 3.0 39.0 4.1 41.0 3.6 42.0 2.1 43.0 18.8 44.0 9.6 50.0 1.4 51.0 3.9 52.0 1.1 54.0 1.8 55.0 1.7 56.0 11.5 57.0 15.1 60.0 1.0 63.0 2.1 65.0 2.8 70.0 1.2 71.0 1.4 77.0 7.1 78.0 1.4 79.0 1.3 82.0 46.7 83.0 2.9 84.0 5.6 89.0 3.9 90.0 2.9 91.0 25.4 92.0 2.6 98.0 16.9 99.0 100.0 100.0 6.1 103.0 1.9 104.0 1.0 105.0 2.5 107.0 1.0 117.0 2.1 118.0 3.5 119.0 31.4 120.0 3.3 131.0 1.1 146.0 1.5 173.0 1.0 174.0 41.4 175.0 6.2 205.0 6.5 206.0 1.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H15 N O2 0.040 g : 0.5 ml CDCl3 (4S,5S)-(-)-2-ethyl-5-phenyl-2-oxazoline-4-methanol 
Assign. Shift(ppm)
A 7.28 B 7.23 C 6.52 D 4.959 E 4.045 F *1 3.668 G *1 3.612 J 2.043 K 0.951
Hz ppm Int.2911.50 7.286 698 2909.06 7.280 421 2905.52 7.271 392 2899.78 7.256 82 2898.44 7.253 105 2897.46 7.250 110 2893.92 7.242 96 2891.36 7.235 113 2888.92 7.229 89 2885.25 7.220 95 2611.69 6.535 122 2603.39 6.515 126 1984.13 4.965 142 1980.35 4.956 144 1620.73 4.056 70 1616.09 4.044 70 1612.18 4.034 56 1465.21 3.667 94 1459.59 3.653 86 1449.58 3.628 96 1444.82 3.616 99 828.25 2.073 103 820.80 2.054 337 813.11 2.035 366 805.54 2.016 131 387.57 0.970 469 380.00 0.951 1000 372.31 0.932 446
KBr disc
nujol mull
