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Back ChemicalBook Home>CAS DataBase List>5617-70-9More Spectrum> 6,6-DIMETHYL-5,7-DIOXASPIRO[2.5]OCTANE-4,8-DIONE(5617-70-9) IR1

5617-70-9

6,6-DIMETHYL-5,7-DIOXASPIRO[2.5]OCTANE-4,8-DIONE(5617-70-9) IR1

Molecular FormulaC8H10O4

Molecular Weight170.16

InChIInChI=1S/C8H10O4/c1-7(2)11-5(9)8(3-4-8)6(10)12-7/h3-4H2,1-2H3

InChIKey AXJVPXNVESYGDT-UHFFFAOYSA-N

SmilesC1C2(C(=O)OC(C)(C)OC2=O)C1

  • 6,6-DIMETHYL-5,7-DIOXASPIRO[2.5]OCTANE-4,8-DIONE(5617-70-9) IR1
    Mass

    MS-IW-5074          
    6,6-dimethyl-5,7-dioxaspiro(2.5)octane-4,8-dione
    C8H10O4             (Mass of molecular ion:    170)
    

       Source Temperature: 110 °C
       Sample Temperature:  80 °C
       Direct, 75 eV
    

          14.0       1.0
          15.0       8.1
          16.0       1.2
          17.0       4.1
          18.0      24.6
          26.0       2.7
          27.0       5.0
          28.0       8.6
          29.0       3.6
          31.0       3.0
          37.0       1.6
          38.0       4.7
          39.0      20.4
          40.0      73.6
          41.0       8.4
          42.0       5.1
          43.0     100.0
          44.0      67.1
          45.0       2.1
          53.0       3.4
          54.0       1.7
          55.0       1.1
          57.0       3.1
          58.0      29.8
          59.0      12.2
          68.0      90.6
          69.0      15.7
          82.0       1.7
          84.0       2.7
          85.0       1.1
          95.0       5.6
         112.0       2.9
         113.0      67.8
         114.0       4.0
         126.0      22.4
         127.0       1.7
         155.0      39.1
         156.0       3.0
         170.0       1.5
    

400 MHz in CDCl3

  • 6,6-DIMETHYL-5,7-DIOXASPIRO[2.5]OCTANE-4,8-DIONE(5617-70-9) IR1

    1H NMR 399.65 MHz
    C8 H10 O4 0.040 g : 0.5 ml CDCl3
    6,6-dimethyl-5,7-dioxaspiro(2.5)octane-4,8-dione
    ChemicalStructure
        Assign.     Shift(ppm)
    A 1.985 B 1.820

         Hz     ppm     Int.
    

        793.33   1.986    809
        727.29   1.820   1000
    

in CDCl3

  • 6,6-DIMETHYL-5,7-DIOXASPIRO[2.5]OCTANE-4,8-DIONE(5617-70-9) IR1

KBr disc

  • 6,6-DIMETHYL-5,7-DIOXASPIRO[2.5]OCTANE-4,8-DIONE(5617-70-9) IR1

nujol mull

  • 6,6-DIMETHYL-5,7-DIOXASPIRO[2.5]OCTANE-4,8-DIONE(5617-70-9) IR1

6,6-DIMETHYL-5,7-DIOXASPIRO[2.5]OCTANE-4,8-DIONE(5617-70-9) IR1 Atlas of Related Products

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