1004-36-0

2,6-二甲基-4-吡喃酮(1004-36-0)质谱(MS)

产品名称:2,6-二甲基-4-吡喃酮

CAS:1004-36-0

分子式:C7H8O2

分子量: 124.14

InChI:InChI=1S/C7H8O2/c1-5-3-7(8)4-6(2)9-5/h3-4H,1-2H3

InChIKey: VSYFZULSKMFUJJ-UHFFFAOYSA-N

Smiles:C1(C)OC(C)=CC(=O)C=1

Mass

MS-NW-1676          
2,6-dimethyl-4-pyrone
C7H8O2              (Mass of molecular ion:    124)

   Source Temperature: 240 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       6.3
      18.0       1.2
      26.0       2.9
      27.0       6.9
      28.0       4.9
      29.0       1.3
      37.0       2.1
      38.0       5.0
      39.0      14.5
      40.0       2.8
      41.0       4.2
      42.0       8.0
      43.0     100.0
      44.0       2.4
      50.0       2.2
      51.0       2.6
      52.0       1.1
      53.0       8.6
      54.0       1.1
      55.0       1.2
      56.0       4.0
      67.0       2.9
      68.0       1.4
      69.0      51.6
      70.0       1.7
      81.0      20.4
      82.0       1.6
      84.0       6.9
      85.0       3.2
      95.0      27.1
      96.0      21.2
      97.0       1.4
     109.0       1.5
     124.0      94.6
     125.0       7.8

90 MHz in CDCl3

parameter in CDCl3

¹H NMR	89.56 MHz
C₇ H₈ O₂	0.046 g : 0.5 ml CDCl₃
2,6-dimethyl-4-pyrone

    Assign.     Shift(ppm)

      A             6.043
      B             2.247

     Hz     ppm     Int.

    541.25   6.044    263
    201.44   2.250   1000

¹H NMR	300 MHz
C₇ H₈ O₂	in CDCl₃
2,6-dimethyl-4-pyrone

    Parameter     ppm  Hz

      D(A)         6.04
      D(B)         2.25
       J(A,B)          0.35
     
     MATHIS,C.T. & GOLDSTEIN,J.H. SPECTROCHIM.ACTA 20, 871 (1964)

     Hz     ppm     Int.

   1811.99   6.040    284
    675.03   2.250   1000

in CDCl3

KBr disc

nujol mull

4880 A,200 M,powder

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