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Back ChemicalBook Home>CAS DataBase List>547-65-9More Spectrum> Tulipalin A(547-65-9) 1H NMR

Tulipalin A(547-65-9) 1H NMR

Product NameTulipalin A

CAS547-65-9

Molecular FormulaC5H6O2

Molecular Weight98.1

InChIInChI=1S/C5H6O2/c1-4-2-3-7-5(4)6/h1-3H2

InChIKey GSLDEZOOOSBFGP-UHFFFAOYSA-N

SmilesO1CCC(=C)C1=O


  • Mass

    MS-NW-6089          
    alpha-methylene-gamma-butyrolactone
    C5H6O2              (Mass of molecular ion:     98)
    

       Source Temperature: 250 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          14.0       1.0
          15.0       1.5
          18.0       3.0
          25.0       1.5
          26.0       6.7
          27.0      11.5
          28.0      10.3
          29.0       6.1
          31.0       1.2
          37.0       4.0
          38.0       6.6
          39.0      46.8
          40.0      69.8
          41.0      21.5
          42.0       1.5
          43.0       1.3
          44.0       1.1
          49.0       1.3
          50.0       3.7
          51.0       3.1
          52.0       1.7
          53.0       9.7
          54.0       5.0
          57.0       1.3
          68.0     100.0
          69.0      11.4
          97.0       2.3
          98.0      49.5
          99.0       3.4
         205.0       4.3
         220.0       1.4
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C5 H6 O2 0.05 ml : 0.5 ml CDCl3
    alpha-methylene-gamma-butyrolactone
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 6.214 B *1 5.698 C 4.388 D 3.015

         Hz     ppm     Int.
    

       2486.33   6.222    301
       2483.40   6.214    560
       2480.47   6.207    317
       2280.15   5.706    334
       2279.66   5.705    353
       2277.47   5.699    608
       2276.98   5.698    638
       2274.90   5.693    359
       2274.41   5.692    360
       1761.35   4.408    721
       1758.18   4.400     56
       1754.15   4.390   1000
       1749.27   4.378     70
       1746.58   4.371    798
       1743.41   4.363     50
       1215.45   3.042    251
       1212.65   3.035    358
       1209.96   3.028    286
       1207.89   3.023    341
       1205.32   3.016    560
       1202.39   3.009    360
       1200.81   3.005    291
       1197.88   2.998    372
       1195.19   2.991    265
    

in CDCl3



liquid film



4880 A,200 M,liquid



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