D-Cycloserine(68-41-7) ¹³C NMR

Product NameD-Cycloserine

CAS 68-41-7

Molecular FormulaC3H6N2O2

Molecular Weight102.09

InChIInChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m1/s1

InChIKey DYDCUQKUCUHJBH-UWTATZPHSA-N

SmilesO1C[C@@H](N)C(=O)N1

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Mass

MS-IW-1284          
(R)-(+)-cycloserine
C3H6N2O2            (Mass of molecular ion:    102)

   Source Temperature: 120 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      14.0       1.3
      15.0       6.3
      16.0       2.1
      17.0       5.2
      18.0       5.8
      26.0       1.7
      27.0       6.5
      28.0      73.4
      29.0      61.3
      30.0      53.0
      31.0       7.4
      32.0       2.5
      39.0       1.0
      40.0       2.8
      41.0       6.8
      42.0      32.6
      43.0     100.0
      44.0       7.9
      45.0       6.4
      55.0       1.6
      57.0       2.7
      58.0       6.0
      59.0      79.2
      60.0      15.0
      72.0       2.0
      73.0       1.6
      74.0      35.0
      75.0       2.2
     102.0      31.7
     103.0       2.9

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₃ H₆ N₂ O₂	saturated in DMSO-d₆
(R)-(+)-cycloserine

    Assign.     Shift(ppm)

      A             4.423
      B             4.0
      C     *1      3.77
      D     *1      3.75
     
     CONFIRMED BY LAOCN CALCURATION

     Hz     ppm     Int.

   1781.62   4.458     92
   1771.12   4.432    199
   1767.94   4.424    530
   1764.77   4.416    221
   1759.40   4.403     43
   1758.79   4.401     43
   1758.06   4.399     42
   1757.57   4.398     42
   1756.96   4.397     42
   1754.39   4.390    121
   1617.07   4.047    251
   1522.95   3.811     53
   1522.34   3.810     53
   1521.12   3.807     54
   1516.97   3.796    157
   1513.67   3.788     76
   1512.70   3.786     70
   1510.62   3.780     92
   1506.96   3.771    487
   1503.42   3.762   1000
   1500.24   3.754    527
   1493.77   3.738    112
   1490.11   3.729    145
   1485.47   3.717     48
   1484.62   3.715     47
   1484.38   3.715     47
   1483.52   3.713     46
   1481.93   3.709     45
   1481.20   3.707     44
   1480.83   3.706     44
   1479.98   3.704     43
   1479.61   3.703     43
   1477.91   3.699     42
   1477.29   3.697     42
   1476.44   3.695     41
   1475.83   3.693     41
   1474.98   3.691     40
   1474.24   3.689     40
   1473.63   3.688     40
   1473.14   3.687     39
   1472.29   3.684     39
   1471.68   3.683     39
   1471.31   3.682     39
   1470.46   3.680     38
   1470.09   3.679     38
   1469.73   3.678     38
   1469.36   3.677     38
   1468.99   3.676     37
   1468.63   3.675     37
   1468.38   3.675     37
   1468.02   3.674     37
   1467.29   3.672     37
   1466.80   3.671     36
   1466.31   3.669     36
   1465.94   3.669     36
   1465.58   3.668     36
   1464.84   3.666     36
   1464.36   3.665     35
   1463.75   3.663     35
   1463.13   3.662     35
   1462.65   3.660     35
   1462.40   3.660     35
   1461.79   3.658     34
   1461.55   3.658     34
   1460.57   3.655     34
   1459.84   3.653     33

in DMSO-d6