17812-32-7

1-Methyl L-aspartate(17812-32-7) IR1

Product Name1-Methyl L-aspartate

CAS 17812-32-7

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

Request For Quotation

¹HNMR

IR1

IR2

1-Methyl L-aspartate(17812-32-7) IR1
Mass

MS-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