78663-07-7

N-Benzyloxycarbonyl-D-aspartic acid(78663-07-7) IR1

Product NameN-Benzyloxycarbonyl-D-aspartic acid

Molecular FormulaC12H13NO6

Molecular Weight267.23

InChIInChI=1S/C12H13NO6/c14-10(15)6-9(11(16)17)13-12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,18)(H,14,15)(H,16,17)/t9-/m1/s1

InChIKey XYXYXSKSTZAEJW-SECBINFHSA-N

SmilesC(O)(=O)[C@@H](CC(O)=O)NC(OCC1=CC=CC=C1)=O

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IR1

N-Benzyloxycarbonyl-D-aspartic acid(78663-07-7) IR1
Mass

MS-NW-1937          
N-benzyloxycarbonyl-D-aspartic acid
C12H13NO6           (Mass of molecular ion:    267)

   Source Temperature: 220 °C
   Sample Temperature: 220 °C
   Direct, 75 eV

      14.0       1.6
      15.0       3.9
      16.0       1.6
      17.0       1.5
      18.0       7.3
      26.0       4.5
      27.0       7.8
      28.0      11.1
      29.0       4.6
      31.0       3.0
      37.0       1.5
      38.0       3.7
      39.0      12.5
      40.0       4.2
      41.0       8.2
      42.0      17.7
      43.0      27.7
      44.0      55.8
      45.0       2.4
      49.0       1.0
      50.0       9.3
      51.0      19.5
      52.0       6.1
      53.0       5.0
      53.5       1.1
      54.0       2.7
      55.0       2.4
      60.0       2.9
      61.0       1.2
      62.0       2.7
      63.0       7.1
      64.0       1.9
      65.0      16.4
      66.0       1.4
      69.0       4.1
      70.0       2.7
      72.0       1.4
      73.0       1.1
      74.0       3.3
      75.0       1.7
      76.0       1.6
      77.0      44.8
      78.0      10.0
      79.0      87.4
      80.0       8.9
      86.0       1.3
      87.0       2.1
      88.0       1.7
      89.0       8.7
      90.0      13.1
      91.0      91.6
      92.0       9.6
     100.0       1.5
     105.0       5.3
     106.0       1.9
     107.0      91.2
     108.0     100.0
     109.0       7.9
     113.0       1.3
     114.0       1.0
     132.0       1.2
     249.0       8.3
     250.0       1.2

KBr disc