L-Alaninol(2749-11-3) 13C NMR
Product NameL-Alaninol
CAS2749-11-3
Molecular FormulaC3H9NO
Molecular Weight75.11
InChIInChI=1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3/t3-/m0/s1
InChIKey BKMMTJMQCTUHRP-VKHMYHEASA-N
SmilesC(O)[C@@H](N)C
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MassMS-NW-6786 L-2-amino-1-propanol C3H9NO (Mass of molecular ion: 75)
Source Temperature: 240 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 3.8 17.0 1.2 18.0 16.3 26.0 1.1 27.0 4.6 28.0 8.5 29.0 2.8 30.0 4.5 31.0 3.9 39.0 1.7 40.0 1.6 41.0 4.4 42.0 14.3 43.0 4.1 44.0 100.0 45.0 3.5 56.0 4.0 57.0 2.4 58.0 3.4 60.0 3.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C3 H9 N O 0.04 ml : 0.5 ml CDCl3 L-2-amino-1-propanol 
Assign. Shift(ppm)
A *1 3.53 B *1 3.24 C 3.00 D 2.53 E 1.048 J(A,B)=-10.3 HZ. J(A,C)=4.0 HZ. J(B,C)=7.4 HZ.. J(C,E)=6.3 HZ. CALCULATED BY LAOCN PROGRAM.
Hz ppm Int.324.00 3.618 74 320.00 3.574 144 313.69 3.503 246 311.00 3.473 38 309.75 3.459 176 298.75 3.336 229 291.31 3.253 339 288.44 3.221 39 282.50 3.155 64 281.13 3.140 136 279.94 3.126 37 277.31 3.097 90 273.63 3.056 65 271.25 3.029 83 269.88 3.014 36 267.31 2.985 69 266.19 2.973 40 265.13 2.961 34 263.81 2.946 48 259.88 2.902 41 226.69 2.532 1000 96.94 1.083 950 90.63 1.012 864 89.00 0.994 59
in CDCl3
liquid film
