2-(Formylamino)butanoic acid(82413-57-8) IR1

Product Name2-(Formylamino)butanoic acid

CAS 82413-57-8

Molecular FormulaC5H9NO3

Molecular Weight131.13

InChIInChI=1S/C5H9NO3/c1-2-4(5(8)9)6-3-7/h3-4H,2H2,1H3,(H,6,7)(H,8,9)

InChIKey QAISXTKWTBOYAA-UHFFFAOYSA-N

SmilesC(O)(=O)C(NC=O)CC

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IR1

IR2

Raman

Mass

MS-NW-9017          
N-formyl-DL-alpha-aminobutyric acid
C5H9NO3             (Mass of molecular ion:    131)

   Source Temperature: 200 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      18.0       2.4
      27.0       2.8
      28.0      16.2
      29.0       3.9
      30.0       4.3
      39.0       2.3
      41.0      17.1
      42.0       3.0
      43.0       3.9
      44.0       1.5
      45.0       2.3
      46.0       8.6
      55.0       1.1
      56.0       5.5
      57.0       2.8
      58.0      34.2
      59.0       1.5
      68.0       2.5
      69.0       1.4
      70.0       1.1
      72.0       1.7
      74.0       7.2
      85.0       7.4
      86.0     100.0
      87.0       7.1
     102.0       6.9
     103.0       5.3
     113.0       3.1
     131.0       4.1
     132.0       1.6

KBr disc

nujol mull

4880 A,200 M,powder

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