4-TERT-BUTYLBENZOIC ACID VINYL ESTER(15484-80-7) Raman

Product Name4-TERT-BUTYLBENZOIC ACID VINYL ESTER

CAS 15484-80-7

Molecular FormulaC13H16O2

Molecular Weight204.26

InChIInChI=1S/C13H16O2/c1-5-15-12(14)10-6-8-11(9-7-10)13(2,3)4/h5-9H,1H2,2-4H3

InChIKey ZLHVSEPPILCZHH-UHFFFAOYSA-N

SmilesC(OC=C)(=O)C1=CC=C(C(C)(C)C)C=C1

Request For Quotation

4-TERT-BUTYLBENZOIC ACID VINYL ESTER(15484-80-7) Raman
Mass

MS-IW-1775          
vinyl p-tert-butylbenzoate
C13H16O2            (Mass of molecular ion:    204)

   Source Temperature: 210 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      39.0       1.0
      41.0       1.5
      51.0       1.6
      57.0       1.0
      65.0       1.2
      72.0       1.0
      77.0       2.8
      90.0       1.7
      91.0       5.5
     103.0       1.9
     105.0       2.8
     115.0       3.1
     117.0       3.4
     118.0       8.6
     119.0       1.0
     133.0       2.4
     145.0       1.5
     146.0      11.3
     147.0       1.3
     161.0     100.0
     162.0      12.2
     189.0       2.1

400 MHz in CDCl3

4-TERT-BUTYLBENZOIC ACID VINYL ESTER(15484-80-7) Raman

¹H NMR	399.65 MHz
C₁₃ H₁₆ O₂	0.05 ml : 0.5 ml CDCl₃
vinyl p-tert-butylbenzoate

    Assign.     Shift(ppm)

      A             8.030
      B             7.525
      C             7.467
      D             5.049
      E             4.669
      F             1.327

     Hz     ppm     Int.

   3216.06   8.048     38
   3213.99   8.043    226
   3211.91   8.037     82
   3207.15   8.025     82
   3205.20   8.021    229
   3203.13   8.015     44
   3017.70   7.551    115
   3011.47   7.536    115
   3003.66   7.516    118
   2997.44   7.501    119
   2989.87   7.482     39
   2987.92   7.477    224
   2985.84   7.472     80
   2981.08   7.460     75
   2979.13   7.455    204
   2977.05   7.450     37
   2026.00   5.070    120
   2024.29   5.066    116
   2011.96   5.035    118
   2010.38   5.031    122
   1869.87   4.679    121
   1868.29   4.675    124
   1863.65   4.664    122
   1861.94   4.659    111
    530.64   1.328   1000

in CDCl3