37112-31-5

LEVOGLUCOSENONE(37112-31-5) MS

Product NameLEVOGLUCOSENONE

CAS 37112-31-5

Molecular FormulaC6H6O3

Molecular Weight126.11

InChIInChI=1S/C6H6O3/c7-5-2-1-4-3-8-6(5)9-4/h1-2,4,6H,3H2/t4-,6+/m0/s1

InChIKey HITOXZPZGPXYHY-UJURSFKZSA-N

Smiles[C@@]12([H])O[C@@]([H])(OC1)C(=O)C=C2

Request For Quotation

¹HNMR

¹³CNMR

IR1

LEVOGLUCOSENONE(37112-31-5) MS
Mass

MS-IW-6992          
levoglucosenone
C6H6O3              (Mass of molecular ion:    126)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      14.0       2.3
      15.0       5.2
      18.0       1.1
      25.0       1.6
      26.0      10.9
      27.0      25.2
      28.0      11.5
      29.0      32.3
      30.0       2.1
      31.0      11.4
      37.0       6.7
      38.0      12.9
      39.0      72.8
      40.0      20.0
      41.0      36.3
      42.0      41.0
      43.0      19.3
      44.0      11.2
      49.0       1.8
      50.0       6.9
      51.0       9.7
      52.0      25.7
      53.0      68.9
      54.0       6.3
      55.0      12.6
      56.0       1.4
      57.0       1.9
      67.0       1.7
      68.0      68.3
      69.0      20.1
      70.0      34.4
      71.0       3.3
      79.0       1.0
      80.0       6.5
      81.0      25.9
      82.0       1.8
      95.0      13.7
      96.0      81.2
      97.0      50.2
      98.0     100.0
      99.0       5.7
     126.0       3.8