ALPHA-AMINO-GAMMA-BUTYROLACTONE HYDROBROMIDE(6305-38-0) Raman

Product NameALPHA-AMINO-GAMMA-BUTYROLACTONE HYDROBROMIDE

CAS 6305-38-0

Molecular FormulaC4H8BrNO2

Molecular Weight182.02

InChIInChI=1S/C4H7NO2.BrH/c5-3-1-2-7-4(3)6;/h3H,1-2,5H2;1H

InChIKey MKLNTBLOABOJFZ-UHFFFAOYSA-N

SmilesC1(OCCC1N)=O.[H]Br

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Mass

MS-NW-5054          
alpha-amino-gamma-butyrolactone hydrobromide
C4H7NO2 HBr         (Mass of molecular ion:    101)

   Source Temperature: 160 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      14.0       1.6
      15.0       6.4
      17.0       1.4
      18.0       7.9
      26.0       5.4
      26.5       1.2
      27.0      11.6
      27.5       2.1
      28.0      43.8
      29.0      16.8
      30.0      23.4
      31.0       1.0
      38.0       1.3
      39.0       3.3
      39.5       2.2
      40.0       2.9
      40.5       2.2
      41.0       6.1
      42.0      26.3
      43.0     100.0
      44.0      13.7
      45.0       1.0
      52.0       1.7
      53.0       1.0
      54.0       2.8
      55.0       2.5
      56.0      35.8
      57.0      69.4
      58.0       2.5
      72.0       2.0
      73.0       3.6
      74.0       1.4
      79.0      29.9
      80.0      86.1
      81.0      29.7
      82.0      85.0
     101.0       7.6

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₄ H₇ N O₂	0.040 g : 0.5 ml DMSO-d₆
alpha-amino-gamma-butyrolactone hydrobromide

    Assign.     Shift(ppm)

      A             8.72
      B     *1      4.470
      C     *1      4.434
      D             4.322
      E     *2      2.594
      F     *2      2.322

     Hz     ppm     Int.

   3486.63   8.725    382
   1795.65   4.494    443
   1787.72   4.474    954
   1786.80   4.471   1000
   1782.23   4.460    793
   1778.87   4.452    631
   1778.11   4.450    611
   1773.38   4.438    867
   1770.94   4.432    889
   1761.93   4.409    749
   1739.96   4.354    410
   1733.86   4.339    509
   1731.11   4.332    411
   1729.13   4.327    527
   1725.01   4.317    419
   1723.02   4.312    509
   1720.28   4.305    420
   1714.17   4.290    330
   1051.48   2.632    211
   1050.42   2.629    235
   1045.53   2.617    260
   1044.31   2.614    264
   1042.63   2.609    275
   1041.56   2.607    295
   1039.12   2.601    331
   1038.06   2.598    366
   1036.68   2.594    337
   1035.46   2.591    301
   1033.17   2.586    342
   1032.10   2.583    329
   1030.43   2.579    320
   1029.21   2.576    326
   1024.32   2.564    279
   1023.25   2.561    282
    949.10   2.375    198
    939.94   2.352    279
    937.96   2.347    428
    928.65   2.324    465
    926.97   2.320    431
    925.90   2.317    438
    916.75   2.294    366
    914.61   2.289    239
    905.61   2.267    149

in D2O

in DMSO-d6