2922-40-9

4-Nitro-DL-phenylalanine(2922-40-9) ¹H NMR

Product Name4-Nitro-DL-phenylalanine

CAS 2922-40-9

Molecular FormulaC9H10N2O4

Molecular Weight210.19

InChIInChI=1S/C9H10N2O4/c10-8(9(12)13)5-6-1-3-7(4-2-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)/t8-/m0/s1

InChIKey GTVVZTAFGPQSPC-QMMMGPOBSA-N

SmilesC(O)(=O)[C@H](CC1=CC=C([N+]([O-])=O)C=C1)N

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4-Nitro-DL-phenylalanine(2922-40-9) <sup>1</sup>H NMR
Mass

MS-KW-0445          
4-nitrophenylalanine hydrate
C9H10N2O4 H2O       (Mass of molecular ion:    210)

   Source Temperature: 190 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      17.0       1.9
      18.0       7.8
      27.0       4.1
      28.0      19.7
      29.0       1.3
      30.0       4.8
      39.0       4.3
      41.0       1.5
      42.0       1.8
      43.0       1.6
      44.0      11.4
      46.0       5.6
      50.0       2.6
      51.0       3.9
      52.0       1.8
      53.0       1.0
      56.0       1.3
      58.5       1.8
      59.5       2.0
      62.0       1.3
      63.0       4.5
      64.0       2.1
      65.0       5.1
      66.0       1.2
      67.0       1.1
      74.0     100.0
      75.0       3.8
      76.0       2.0
      77.0       3.7
      78.0       3.0
      79.0       1.3
      80.0       1.3
      89.0       8.4
      90.0      17.9
      91.0      13.8
      92.0       3.8
      93.0       1.0
     103.0       1.0
     104.0       1.7
     106.0       6.4
     107.0       8.7
     116.0       1.4
     117.0       4.7
     118.0       7.8
     119.0      17.1
     120.0       8.6
     121.0       4.6
     131.0       1.3
     132.0       1.9
     134.0       1.5
     137.0      62.0
     138.0       5.2
     164.0       4.1
     165.0      29.7
     166.0       3.0