17598-02-6

7-甲氧基-2,2-二甲基色烯(17598-02-6)质谱(MS)

产品名称:7-甲氧基-2,2-二甲基色烯

CAS:17598-02-6

分子式:C12H14O2

分子量: 190.24

InChI:InChI=1S/C12H14O2/c1-12(2)7-6-9-4-5-10(13-3)8-11(9)14-12/h4-8H,1-3H3

InChIKey: CPTJXGLQLVPIGP-UHFFFAOYSA-N

Smiles:C1(C)(C)OC2=CC(OC)=CC=C2C=C1

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-5599          
7-methoxy-2,2-dimethylchromene
C12H14O2            (Mass of molecular ion:    190)

   Source Temperature: 270 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       1.1
      27.0       1.0
      39.0       2.4
      41.0       1.2
      43.0       2.5
      51.0       2.4
      63.0       1.9
      65.0       1.3
      69.0       1.4
      77.0       2.8
      78.0       1.3
      87.5       1.4
      89.0       1.1
      91.0       2.0
     103.0       1.9
     115.0       2.0
     131.0       1.3
     132.0       7.7
     133.0       1.1
     160.0       6.9
     161.0       1.2
     174.0       1.1
     175.0     100.0
     176.0      12.0
     177.0       1.2
     189.0       1.3
     190.0      19.2
     191.0       2.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₂ H₁₄ O₂	0.04 ml : 0.5 ml CDCl₃
7-methoxy-2,2-dimethylchromene

    Assign.     Shift(ppm)

      A             6.864
      B             6.41
      C             6.37
      D             6.266
      E             5.460
      F             3.755
      G             1.415

     Hz     ppm     Int.

    620.00   6.923     34
    611.06   6.823     53
    577.81   6.452     34
    575.38   6.425     67
    571.75   6.384     44
    571.13   6.378     34
    569.13   6.355     88
    566.31   6.324     51
    556.44   6.214     54
    493.38   5.509     79
    483.69   5.401     62
    336.31   3.756    533
    128.63   1.437     25
    126.75   1.416   1000
    125.00   1.396     30

in CDCl3