85180-66-1

2-Propenoic acid, 3-phenyl-, 3-methylbutyl ester, (E)-(85180-66-1) ¹H NMR

Product Name2-Propenoic acid, 3-phenyl-, 3-methylbutyl ester, (E)-

CAS 85180-66-1

Molecular FormulaC14H18O2

Molecular Weight218.29

InChIInChI=1S/C14H18O2/c1-12(2)10-11-16-14(15)9-8-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3/b9-8+

InChIKey JFHCDEYLWGVZMX-CMDGGOBGSA-N

SmilesC(OCCC(C)C)(=O)/C=C/C1=CC=CC=C1

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¹HNMR

¹³CNMR

2-Propenoic acid, 3-phenyl-, 3-methylbutyl ester, (E)-(85180-66-1) <sup>1</sup>H NMR

    Assign.     Shift(ppm)

      A             7.663
      B          7.47 to 7.36
      C             6.439
      D             4.240
      E             1.76
      F             1.63
      G             0.957

Spectral Code: 1H NMR : 90 MHz in CDCl3

2-Propenoic acid, 3-phenyl-, 3-methylbutyl ester, (E)-(85180-66-1) <sup>1</sup>H NMR

       ppm   Int.  Assign.

      166.85   294      1
      144.45   449      2
      134.50   422      3
      130.12   471      4
      128.82  1000      5 *
      128.00   872      6 *
      118.32   578      7
       63.10   556      8
       37.48   374      9
       25.13   492     10
       22.49   604     11

Spectral Code: 13C NMR : in CDCl3

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2-Propenoic acid, 3-phenyl-, 3-methylbutyl ester, (E)-(85180-66-1) 1H NMR

2-Propenoic acid, 3-phenyl-, 3-methylbutyl ester, (E)-(85180-66-1) ¹H NMR