D-Cycloserine(68-41-7) 13C NMR
Product NameD-Cycloserine
CAS68-41-7
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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MassMS-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
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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
KBr disc
nujol mull
