Erythritol(149-32-6) ¹³C NMR

Product NameErythritol

CAS 149-32-6

Molecular FormulaC4H10O4

Molecular Weight122.12

InChIInChI=1/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4+

InChIKey UNXHWFMMPAWVPI-ZXZARUISNA-N

SmilesC(O)[C@@H](O)[C@@H](O)CO |&1:2,4,r|

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Mass

MS-NW-4565          
erythritol
C4H10O4             (Mass of molecular ion:    122)

   Source Temperature: 180 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      14.0       1.2
      15.0      13.9
      17.0       1.9
      18.0       8.8
      19.0      14.6
      26.0       1.4
      27.0       8.6
      28.0       6.7
      29.0      14.3
      30.0       2.3
      31.0      31.5
      32.0       1.8
      39.0       1.6
      41.0       1.4
      42.0       9.0
      43.0      61.1
      44.0      96.2
      45.0      28.7
      46.0       1.2
      47.0       1.8
      55.0       6.3
      56.0      12.5
      57.0       2.8
      60.0      15.4
      61.0     100.0
      62.0       7.5
      73.0      13.2
      74.0      13.8
      91.0      20.2
     104.0       1.4

400 MHz in D2O

¹H NMR	399.65 MHz
C₄ H₁₀ O₄	0.034 g : 0.5 ml D₂O
erythritol

    Assign.     Shift(ppm)

      A     *1      3.778
      B             3.68
      C     *1      3.61
     
     THE SOLVENT PEAK SUPPRESSED.

     Hz     ppm     Int.

   1517.82   3.798    465
   1515.75   3.793    729
   1506.35   3.770    777
   1504.76   3.766   1000
   1475.59   3.693    348
   1474.00   3.689    578
   1472.53   3.685    394
   1471.07   3.681    557
   1468.38   3.675    898
   1462.77   3.661    411
   1459.23   3.652    779
   1457.76   3.648    519
   1452.39   3.635    354
   1448.00   3.624    484
   1446.53   3.620    333
   1441.41   3.607    320

in D2O