Menadiol diacetate(573-20-6) ¹³C NMR

Product NameMenadiol diacetate

CAS 573-20-6

Molecular FormulaC15H14O4

Molecular Weight258.27

InChIInChI=1S/C15H14O4/c1-9-8-14(18-10(2)16)12-6-4-5-7-13(12)15(9)19-11(3)17/h4-8H,1-3H3

InChIKey RYWSYCQQUDFMAU-UHFFFAOYSA-N

SmilesC1(OC(=O)C)=C2C(C=CC=C2)=C(OC(=O)C)C=C1C

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Mass

MS2014-05053CW      
1,4-diacetoxy-2-methylnaphthalene
C15H14O4            (Mass of molecular ion:    258)

   Source Temperature: 250 °C
   Sample Temperature:  20 °C
   Direct, 70 eV

      15.0       1.1
      43.0      13.5
      76.0       2.5
      77.0       2.4
     104.0       1.8
     105.0       6.4
     115.0       4.3
     116.0       1.5
     117.0       1.4
     127.0       1.5
     128.0       1.5
     131.0       3.3
     145.0       2.8
     173.0       8.0
     174.0     100.0
     175.0      12.0
     176.0       1.1
     216.0      12.7
     217.0       1.9
     258.0       8.3
     259.0       1.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₅ H₁₄ O₄	0.040 g : 0.5 ml CDCl₃
1,4-diacetoxy-2-methylnaphthalene

    Assign.     Shift(ppm)

      A             7.812
      B             7.744
      C     *1      7.51
      D     *1      7.46
      E             7.141
      F     *2      2.451
      G     *2      2.422
      J             2.309

     Hz     ppm     Int.

   3127.20   7.825     48
   3126.59   7.824     56
   3125.98   7.822     53
   3124.88   7.820     43
   3118.77   7.804     72
   3117.68   7.802     58
   3116.94   7.800     53
   3100.34   7.758     47
   3099.61   7.756     50
   3098.63   7.754     62
   3092.29   7.738     50
   3091.19   7.735     64
   3090.82   7.734     65
   3006.84   7.524     33
   3001.34   7.510     66
   3000.00   7.507     65
   2993.41   7.491     69
   2991.58   7.486     99
   2989.75   7.481     66
   2984.50   7.468     31
   2983.03   7.465     61
   2981.81   7.462     52
   2853.88   7.141    198
    979.74   2.452    990
    968.38   2.424   1000
    923.10   2.310    648

in CDCl3