3-Hydroxypropionic acid(503-66-2) 13C NMR
Product Name3-Hydroxypropionic acid
CAS503-66-2
Molecular FormulaC3H6O3
Molecular Weight90.08
InChIInChI=1S/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6)
InChIKey ALRHLSYJTWAHJZ-UHFFFAOYSA-N
SmilesC(O)(=O)CCO
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MassMS-NW-5070 3-hydroxypropionic acid C3H6O3 (Mass of molecular ion: 90)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
25.0 2.8 26.0 16.7 27.0 39.1 28.0 20.0 29.0 26.5 30.0 8.9 31.0 47.3 32.0 2.4 36.0 2.8 41.0 4.4 42.0 72.6 43.0 57.1 44.0 25.3 45.0 35.9 46.0 2.4 47.0 3.2 53.0 2.0 54.0 1.2 55.0 39.1 56.0 2.8 60.0 100.0 61.0 4.0 71.0 16.7 72.0 54.6 73.0 39.5 74.0 2.4 86.0 1.6 89.0 5.3 90.0 2.0 91.0 5.7 114.0 5.7 116.0 1.6 132.0 1.6
parameter in D2O
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1H NMR 300 MHz C3 H6 O3 0.04 ml : 0.5 ml D2O 3-hydroxypropionic acid 
Parameter ppm Hz
D(A) 3.831 D(B) 2.605 J(A,B) 6.0
Hz ppm Int.1155.34 3.851 487 1149.36 3.831 998 1143.36 3.811 520 787.45 2.625 520 781.46 2.605 1000 775.46 2.585 487
in D2O
ca 50% H2O solution
4880 A,200 M,liquid
