70289-34-8

TRI-N-AMYL CITRATE(70289-34-8) IR1

Product NameTRI-N-AMYL CITRATE

CAS 70289-34-8

Molecular FormulaC21H38O7

Molecular Weight402.52

InChIInChI=1S/C21H38O7/c1-4-7-10-13-26-18(22)16-21(25,20(24)28-15-12-9-6-3)17-19(23)27-14-11-8-5-2/h25H,4-17H2,1-3H3

InChIKey DXRFOGXSSDRZFP-UHFFFAOYSA-N

SmilesC(C(OCCCCC)=O)C(O)(C(OCCCCC)=O)CC(OCCCCC)=O

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¹HNMR

¹³CNMR

IR1

TRI-N-AMYL CITRATE(70289-34-8) IR1

    Assign.     Shift(ppm)

      A             4.203
      B             4.077
      C             3.64
      D     *1      2.864
      E     *1      2.821
      F             1.61
      G             1.35
      J             0.900

Spectral Code: 1H NMR : 90 MHz in CDCl3

TRI-N-AMYL CITRATE(70289-34-8) IR1

       ppm   Int.  Assign.

      173.49   173      1
      169.88   432      2
       73.30   438      3
       66.44   373      4
       65.14   670      5
       43.40   481      6
       28.25   746      7 *
                        8 #
       28.07  1000      9 *
                       10 #
       22.35   751     11
                       12
       13.95   600     13
                       14

Spectral Code: 13C NMR : in CDCl3

Spectral Code: IR : liquid film

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