81949-84-0

3-[(E)-2-Octenyl]-3,4-dihydro-2,5-furandione(81949-84-0) IR1

Product Name3-[(E)-2-Octenyl]-3,4-dihydro-2,5-furandione

CAS 81949-84-0

Molecular Formula

Molecular Weight

InChIInChI=1S/C12H18O3/c1-2-3-4-5-6-7-8-10-9-11(13)15-12(10)14/h6-7,10H,2-5,8-9H2,1H3/b7-6+

InChIKey WSGFXVFLWVXTCJ-VOTSOKGWSA-N

SmilesO1C(=O)CC(C/C=C/CCCCC)C1=O

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¹HNMR

¹³CNMR

IR1

3-[(E)-2-Octenyl]-3,4-dihydro-2,5-furandione(81949-84-0) IR1

    Assign.     Shift(ppm)

      A     *1      5.61
      B     *1      5.300
      C             3.22
      D             3.03
      E             2.73
      F     *2      2.53
      G     *2      2.45
      J             2.01
      K          1.38 to 1.23
      L             0.884
     
     J(A,B)=15.2HZ.
     J(C,D)=9.9HZ.
     J(C,E)=6.0HZ.
     J(D,E)=-18.8HZ.
     A SMALL AMOUNT OF ACID DERIVATIVE IS INCLUDED.

Spectral Code: 1H NMR : 400 MHz in CDCl3

3-[(E)-2-Octenyl]-3,4-dihydro-2,5-furandione(81949-84-0) IR1

       ppm   Int.  Assign.

      173.72   695      1
      170.54   735      2
      136.72   880      3
      123.21   790      4
       40.66  1000      5
       33.50   610      6 *
       33.04   700      7 *
       32.50   635      8
       31.35   650      9
       28.92   665     10
       22.51   730     11
       14.04   650     12

Spectral Code: 13C NMR : in CDCl3

Spectral Code: IR : liquid film

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