H-ALA-ALA-ALA-ALA-OH(926-79-4) MS

Molecular FormulaC12H22N4O5

Molecular Weight302.33

InChIInChI=1S/C12H22N4O5/c1-5(13)9(17)14-6(2)10(18)15-7(3)11(19)16-8(4)12(20)21/h5-8H,13H2,1-4H3,(H,14,17)(H,15,18)(H,16,19)(H,20,21)/t5-,6-,7-,8-/m0/s1

InChIKey ZHRZLXZJVUFLNY-XAMCCFCMSA-N

SmilesC(O)(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)N

Request For Quotation

¹³CNMR

IR1

IR2

Mass

MS-NW-9114          
L-alanyl-L-alanyl-L-alanyl-L-alanine
C12H22N4O5          (Mass of molecular ion:    302)

   Source Temperature: 230 °C
   Sample Temperature: 260 °C
   Direct, 75 eV

      17.0       1.9
      18.0      11.5
      27.0       1.5
      28.0       5.0
      29.0       1.1
      41.0       1.3
      42.0       3.6
      43.0       2.7
      44.0     100.0
      45.0       3.2
      55.0       2.0
      56.0       2.6
      57.0       1.3
      58.0       3.9
      70.0       2.7
      71.0       3.0
      72.0       1.4
      87.0       2.2
      89.0       1.1
      90.0       4.2
      99.0       7.5
     100.0       1.6
     113.0       1.1
     115.0       9.8
     116.0       1.8
     127.0       8.5
     141.0       1.4
     143.0      12.5
     144.0       1.1
     145.0       1.6
     169.0       2.2
     186.0       1.1
     187.0       1.0
     188.0       1.1
     216.0      10.8
     217.0       1.2
     231.0       1.0

in D2O

KBr disc

nujol mull

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