Ftalofyne(131-67-9) IR1

Product NameFtalofyne

CAS 131-67-9

Molecular FormulaC14H14O4

Molecular Weight246.26

InChIInChI=1S/C14H14O4/c1-4-14(3,5-2)18-13(17)11-9-7-6-8-10(11)12(15)16/h1,6-9H,5H2,2-3H3,(H,15,16)

InChIKey CZGIRAWWWHPJHM-UHFFFAOYSA-N

SmilesC1(C(OC(CC)(C)C#C)=O)=CC=CC=C1C(O)=O

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¹HNMR

IR1

Raman

Ftalofyne(131-67-9) IR1

    Assign.     Shift(ppm)

      A            11.91
      B             7.88
      C          7.82 to 7.41
      D             2.642
      E     *1      2.09
      F     *1      1.94
      G             1.815
      J             1.081

Spectral Code: 1H NMR : 90 MHz in CDCl3

Spectral Code: IR : KBr disc

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

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