Z-GAMMA-ABU-OH(5105-78-2) IR3
Product NameZ-GAMMA-ABU-OH
CAS5105-78-2
Molecular FormulaC12H15NO4
Molecular Weight237.25
InChIInChI=1S/C12H15NO4/c14-11(15)7-4-8-13-12(16)17-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,13,16)(H,14,15)
InChIKey STQMDRQJSNKUAW-UHFFFAOYSA-N
SmilesC(O)(=O)CCCNC(OCC1=CC=CC=C1)=O
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MassMS-NW-2398 4-(benzyloxycarbonylamino)butyric acid C12H15NO4 (Mass of molecular ion: 237)
Source Temperature: 250 °C Sample Temperature: 180 °C Direct, 75 eV
15.0 2.6 17.0 2.1 18.0 10.3 26.0 5.3 27.0 18.4 28.0 24.8 29.0 8.1 30.0 15.9 31.0 4.2 37.0 2.4 38.0 4.2 39.0 18.2 40.0 5.4 41.0 23.0 42.0 19.5 43.0 6.6 44.0 22.5 45.0 9.9 49.0 1.0 50.0 9.1 51.0 20.8 52.0 7.0 53.0 4.9 53.5 1.1 54.0 3.6 55.0 6.7 56.0 43.9 57.0 3.4 58.0 1.0 59.0 4.3 60.0 36.6 61.0 2.3 62.0 2.6 63.0 6.0 64.0 1.7 65.0 13.0 66.0 1.2 69.0 5.2 70.0 3.7 73.0 21.5 74.0 9.5 75.0 1.7 76.0 1.5 77.0 45.2 78.0 10.4 79.0 91.0 80.0 9.2 82.0 1.9 83.0 12.4 84.0 9.4 85.0 21.7 86.0 8.9 87.0 1.4 89.0 7.0 90.0 9.9 91.0 60.9 92.0 7.5 101.0 3.5 102.0 2.7 105.0 5.9 106.0 3.5 107.0 66.3 108.0 100.0 109.0 7.6 112.0 3.0 113.0 1.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C12 H15 N O4 0.042 g : 0.5 ml CDCl3 4-(benzyloxycarbonylamino)butyric acid 
Assign. Shift(ppm)
A 10.9 B 7.33 C 5.092 D 5.0 E 3.219 F 2.358 G 1.825
Hz ppm Int.974.93 10.886 34 660.50 7.375 33 656.32 7.329 1000 456.15 5.094 230 292.09 3.262 76 285.79 3.192 84 279.42 3.120 37 220.31 2.460 40 219.58 2.452 41 219.29 2.449 41 212.26 2.371 117 205.74 2.298 79 205.37 2.294 80 169.26 1.890 66 168.97 1.887 68 162.38 1.814 84 155.42 1.736 47
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,200 M,powder
