DL-2-HYDROXY-3-BUTENOIC ACID METHYL ESTER(5837-73-0) MS
Product NameDL-2-HYDROXY-3-BUTENOIC ACID METHYL ESTER
CAS5837-73-0
Molecular FormulaC5H8O3
Molecular Weight116.12
InChIInChI=1S/C5H8O3/c1-3-4(6)5(7)8-2/h3-4,6H,1H2,2H3
InChIKey JBKTVPSFVUFSAO-UHFFFAOYSA-N
SmilesC(OC)(=O)C(O)C=C
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MassMS-IW-3482 methyl (+-)-2-hydroxy-3-butenoate C5H8O3 (Mass of molecular ion: 116)
Source Temperature: 210 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 9.9 26.0 4.4 27.0 17.5 28.0 8.3 29.0 40.9 30.0 2.4 31.0 19.4 32.0 1.8 33.0 6.4 37.0 1.3 38.0 2.5 39.0 7.4 40.0 1.5 41.0 1.9 42.0 1.1 43.0 2.2 44.0 1.2 45.0 6.0 53.0 1.1 55.0 16.4 56.0 10.7 57.0 100.0 58.0 6.6 59.0 18.7 60.0 1.7 61.0 2.2 68.0 1.7 71.0 2.0 84.0 38.8 85.0 2.5 87.0 17.1 88.0 1.0 99.0 2.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C5 H8 O3 0.05 ml : 0.5 ml CDCl3 methyl (+-)-2-hydroxy-3-butenoate 
Assign. Shift(ppm)
A 5.950 B 5.495 C 5.271 D 4.717 E 4.44 F 3.795
Hz ppm Int.2205.57 5.519 135 2204.35 5.516 149 2203.74 5.515 149 2202.51 5.512 138 2188.48 5.476 113 2187.13 5.473 122 2186.65 5.472 129 2185.42 5.469 116 2113.04 5.288 141 2111.82 5.285 146 2111.21 5.283 155 2109.99 5.280 134 2102.66 5.262 126 2101.32 5.258 137 2100.83 5.257 145 2099.61 5.254 127 1889.65 4.729 91 1887.82 4.724 165 1885.99 4.720 97 1884.52 4.716 94 1882.69 4.711 158 1880.86 4.707 88 1516.85 3.796 1000
in CDCl3
liquid film
