1676-73-9

gamma-Benzyl L-glutamate(1676-73-9) IR2

Product Namegamma-Benzyl L-glutamate

CAS 1676-73-9

Molecular FormulaC12H15NO4

Molecular Weight237.25

InChIInChI=1S/C12H15NO4/c13-10(12(15)16)6-7-11(14)17-8-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,15,16)/t10-/m0/s1

InChIKey BGGHCRNCRWQABU-JTQLQIEISA-N

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

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gamma-Benzyl L-glutamate(1676-73-9) IR2
Mass

MS-NW-7335          
gamma-benzyl L-glutamate
C12H15NO4           (Mass of molecular ion:    237)

   Source Temperature: 170 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      18.0       2.6
      27.0       1.3
      28.0       5.4
      29.0       1.2
      30.0       1.6
      39.0       3.1
      41.0       4.1
      42.0       1.1
      43.0       1.5
      50.0       1.2
      51.0       3.2
      52.0       1.1
      54.0       1.0
      55.0       1.3
      56.0       5.4
      57.0       2.0
      58.0       1.5
      63.0       1.7
      65.0       7.0
      74.0       4.7
      75.0       2.9
      77.0       5.2
      78.0       1.3
      79.0       6.3
      82.0       1.0
      84.0      16.1
      85.0       1.5
      89.0       2.5
      90.0       2.4
      91.0     100.0
      92.0       9.0
     100.0       4.1
     102.0       1.8
     103.0       2.6
     104.0       1.4
     105.0       1.2
     107.0       5.3
     108.0       6.7
     128.0       7.7
     129.0       1.9
     146.0      18.2
     147.0       1.5
     174.0       2.4
     192.0      25.4
     193.0       3.6

400MHZ in D2O