1193-55-1

2-甲基-1,3-環(huán)己二酮(1193-55-1)核磁圖(¹HNMR)

產(chǎn)品名稱:2-甲基-1,3-環(huán)己二酮

CAS:1193-55-1

分子式:C7H10O2

分子量: 126.15

InChI:InChI=1S/C7H10O2/c1-5-6(8)3-2-4-7(5)9/h5H,2-4H2,1H3

InChIKey: VSGJHHIAMHUZKF-UHFFFAOYSA-N

Smiles:C1(=O)CCCC(=O)C1C

Mass

MS-NW-7241          
2-methyl-1,3-cyclohexanedione
C7H10O2             (Mass of molecular ion:    126)

   Source Temperature: 150 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      14.0       1.0
      15.0       3.2
      17.0       1.3
      18.0       6.4
      26.0       6.7
      27.0      34.1
      28.0      33.0
      29.0       5.3
      31.0       1.8
      35.0       1.6
      37.0       1.7
      38.0       3.3
      39.0      21.8
      40.0       5.2
      41.0      18.6
      42.0      44.9
      43.0      16.6
      44.0       1.2
      48.0       1.0
      49.0       1.1
      50.0       2.0
      51.0       3.1
      52.0       1.7
      53.0       5.7
      54.0       2.5
      55.0     100.0
      56.0      40.9
      57.0       7.5
      67.0       1.0
      68.0       1.3
      69.0       7.3
      70.0      65.8
      71.0       8.1
      77.0       1.1
      79.0       1.4
      80.0       1.1
      83.0      34.7
      84.0       3.2
      85.0       2.2
      97.0      14.0
      98.0      67.5
      99.0       4.2
     111.0       1.3
     126.0      68.6
     127.0       6.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₁₀ O₂	0.040 g : 0.5 ml DMSO-d₆
2-methyl-1,3-cyclohexanedione

    Assign.     Shift(ppm)

      A            10.3
      B             2.30
      C             1.820
      D             1.550

     Hz     ppm     Int.

   4117.28  10.303    115
    926.82   2.320    179
    921.33   2.306    279
    915.68   2.292    185
    740.36   1.853     66
    733.80   1.837    189
    727.54   1.821    254
    720.98   1.805    165
    717.01   1.795     28
    714.57   1.788     50
    619.66   1.551   1000

in DMSO-d6