Menadione(58-27-5) IR1

Product NameMenadione

CAS 58-27-5

Molecular FormulaC11H8O2

Molecular Weight172.18

InChIInChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3

InChIKey MJVAVZPDRWSRRC-UHFFFAOYSA-N

SmilesC1(=O)C2=C(C=CC=C2)C(=O)C=C1C

Request For Quotation

Mass

MS-NW-1510          
2-methyl-1,4-naphthoquinone
C11H8O2             (Mass of molecular ion:    172)

   Source Temperature: 260 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      18.0       1.2
      27.0       1.5
      28.0       2.9
      37.0       2.3
      38.0       6.5
      39.0      17.6
      40.0       3.4
      49.0       1.4
      50.0      30.4
      51.0       9.0
      52.0       3.0
      53.0       2.6
      57.0       2.3
      57.5       2.9
      58.0       4.5
      61.0       1.7
      62.0       3.8
      63.0       7.3
      64.0       1.3
      65.0       2.9
      66.0       3.6
      67.0       3.4
      71.0       1.4
      72.0       1.4
      73.0       1.8
      74.0      12.0
      75.0      14.2
      76.0      57.7
      77.0      10.2
      86.0       1.8
      87.0       2.1
      88.0       1.7
      89.0       6.5
      90.0       1.3
     101.0       3.0
     102.0       1.1
     104.0      65.6
     105.0      18.1
     106.0       1.3
     113.0       1.4
     114.0       2.2
     115.0      50.1
     116.0      52.6
     117.0       5.2
     129.0       3.7
     132.0       1.5
     143.0       3.1
     144.0      40.1
     145.0       4.6
     157.0       1.3
     171.0       2.5
     172.0     100.0
     173.0      11.7
     174.0       1.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₁ H₈ O₂	0.035 g : 0.5 ml CDCl₃
2-methyl-1,4-naphthoquinone

    Assign.     Shift(ppm)

      A             2.194
      B             6.831
      C             7.717
      D             8.051

     Hz     ppm     Int.

    728.25   8.132    105
    725.00   8.096    213
    723.00   8.073    119
    721.94   8.061    184
    719.06   8.029    255
    716.06   7.996    192
    711.94   7.950     49
    698.63   7.801     89
    694.69   7.757    388
    691.31   7.719    290
    688.94   7.693    265
    685.56   7.655    233
    681.50   7.610     40
    613.81   6.854    100
    612.31   6.837    253
    610.75   6.820    255
    609.31   6.804    105
    196.94   2.199    997
    195.44   2.183   1000

in CDCl3