PRECOCENE II(644-06-4) ¹³C NMR

Product NamePRECOCENE II

CAS 644-06-4

Molecular FormulaC13H16O3

Molecular Weight220.26

InChIInChI=1S/C13H16O3/c1-13(2)6-5-9-7-11(14-3)12(15-4)8-10(9)16-13/h5-8H,1-4H3

InChIKey PTIDGSWTMLSGAH-UHFFFAOYSA-N

SmilesC1(C)(C)OC2=CC(OC)=C(OC)C=C2C=C1

Request For Quotation

Mass

MS-NW-6745          
6,7-dimethoxy-2,2-dimethyl-2H-chromene
C13H16O3            (Mass of molecular ion:    220)

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

      15.0       1.6
      27.0       1.1
      39.0       2.4
      41.0       1.5
      43.0       2.8
      50.0       1.2
      51.0       2.4
      53.0       1.4
      63.0       1.5
      65.0       1.9
      69.0       4.1
      77.0       3.6
      78.0       1.2
      79.0       1.0
      91.0       3.9
      95.0       1.1
     102.5       3.2
     103.0       1.5
     105.0       1.0
     110.0       1.8
     115.0       1.7
     117.0       1.0
     119.0       1.6
     131.0       1.2
     132.0       1.3
     144.0       2.1
     145.0       1.9
     147.0       1.0
     160.0       2.2
     161.0       7.1
     162.0       1.4
     173.0       1.6
     174.0       1.1
     175.0       1.2
     189.0       6.6
     190.0       3.8
     205.0     100.0
     206.0      13.4
     207.0       1.4
     220.0      28.5
     221.0       4.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₃ H₁₆ O₃	0.042 g : 0.5 ml CDCl₃
6,7-dimethoxy-2,2-dimethyl-2H-chromene

    Assign.     Shift(ppm)

      A             6.526
      B             6.409
      C             6.226
      D             5.472
      E     *1      3.829
      F     *1      3.814
      G             1.408
     
     J(C,D)=9.7HZ.

     Hz     ppm     Int.

    584.50   6.527    116
    574.00   6.410     92
    563.44   6.292     39
    563.06   6.287     39
    553.31   6.179     51
    494.19   5.518     87
    484.50   5.410     64
    342.94   3.830    483
    341.56   3.814    542
    126.13   1.409   1000

in CDCl3