Product NameMETHYLTRANS-3-OXO-2-PENTYLCYCLOPENTANEACETATE

CAS

Molecular FormulaC13H22O3

Molecular Weight226.31198

InChIInChI=1/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3/t10-,11-/s3

InChIKey KVWWIYGFBYDJQC-ZOMVLEFPNA-N

Smiles[C@@H]1(CC(OC)=O)CCC(=O)[C@H]1CCCCC |&1:0,10,r|

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¹HNMR

IR1

Raman

    Assign.     Shift(ppm)

      A             3.705
      B             2.632
      C             2.34
      D             2.24
      E     *1      2.15
      F     *1      2.13
      G     *2      1.802
      J             1.54
      K     *2      1.48
      L     *3      1.41
      M     *3   1.29 to 1.26
      N             0.877

Spectral Code: 1H NMR : 400 MHz in CDCl3

Spectral Code: IR : liquid film

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

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