1-Methyl L-aspartate(17812-32-7) IR1
Product Name1-Methyl L-aspartate
CAS17812-32-7
Molecular FormulaC5H9NO4
Molecular Weight147.13
InChIInChI=1S/C5H9NO4/c1-10-5(9)3(6)2-4(7)8/h3H,2,6H2,1H3,(H,7,8)/t3-/m0/s1
InChIKey SWWBMHIMADRNIK-VKHMYHEASA-N
SmilesC(OC)(=O)[C@H](CC(O)=O)N
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MassMS-KW-0444 L-aspartic acid 1-methyl ester C5H9NO4 (Mass of molecular ion: 147)
Source Temperature: 180 °C Sample Temperature: 210 °C Direct, 75 eV
14.0 4.2 15.0 7.6 16.0 3.2 17.0 13.9 18.0 62.9 19.0 1.2 25.0 1.3 26.0 7.7 27.0 17.8 28.0 81.3 29.0 6.0 30.0 6.6 31.0 1.1 36.0 1.0 38.0 1.6 39.0 2.4 40.0 6.6 41.0 15.2 42.0 37.5 43.0 70.9 44.0 38.3 45.0 10.4 46.0 17.1 53.0 1.5 54.0 2.2 55.0 2.4 56.0 1.1 60.0 5.0 69.0 2.0 70.0 64.2 71.0 3.9 72.0 1.0 74.0 13.8 82.0 1.0 86.0 1.3 87.0 6.6 88.0 100.0 89.0 4.4 98.0 1.8 99.0 1.0 102.0 1.2 115.0 1.7
KBr disc
nujol mull
