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Molecular FormulaC12H14O5

Molecular Weight238.23656

InChIInChI=1S/C12H14O5/c1-2-3-8-16-12(15)17-10-6-4-9(5-7-10)11(13)14/h4-7H,2-3,8H2,1H3,(H,13,14)

InChIKey GNBKEARJFHTJMV-UHFFFAOYSA-N

SmilesC(O)(=O)C1=CC=C(OC(OCCCC)=O)C=C1



  •     Assign.     Shift(ppm)
    A 12.2 B 8.15 C 7.31 D 4.280 E 1.74 F 1.46 G 0.98
    Spectral Code: 1H NMR : 90 MHz in CDCl3



  •        ppm   Int.  Assign.
    171.57 597 1 155.41 662 2 153.02 488 3 131.97 876 4 126.97 567 5 121.16 1000 6 69.08 512 7 30.60 522 8 18.95 552 9 13.64 463 10
    Spectral Code: 13C NMR : in CDCl3


  • Spectral Code: IR : nujol mull


  • Spectral Code: Raman : 4880 A,200 M,powder

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