4-TERT-BUTYLBENZOIC ACID VINYL ESTER(15484-80-7) Raman
Product Name4-TERT-BUTYLBENZOIC ACID VINYL ESTER
CAS15484-80-7
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
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MassMS-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
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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
liquid film
