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573-20-6

维生素 K4(573-20-6)核磁图(13CNMR)

产品名称:维生素 K4

CAS:573-20-6

分子式:C15H14O4

分子量: 258.27

InChI:InChI=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

Smiles:C1(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

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

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KBr disk

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Nujol

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4880 A,200 M,powder

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