4-TERT-BUTYLBENZOIC ACID GLYCIDYL ESTER(59313-58-5) MS
Product Name4-TERT-BUTYLBENZOIC ACID GLYCIDYL ESTER
CAS59313-58-5
Molecular FormulaC14H18O3
Molecular Weight234.29
InChIInChI=1S/C14H18O3/c1-14(2,3)11-6-4-10(5-7-11)13(15)17-9-12-8-16-12/h4-7,12H,8-9H2,1-3H3
InChIKey NOWVDELPZQQGIG-UHFFFAOYSA-N
SmilesC(OCC1CO1)(=O)C1=CC=C(C(C)(C)C)C=C1
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MassMS-IW-1792 2,3-epoxypropyl p-tert-butylbenzoate C14H18O3 (Mass of molecular ion: 234)
Source Temperature: 240 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 4.3 28.0 1.1 29.0 9.6 31.0 6.1 39.0 2.8 41.0 6.1 43.0 1.7 44.0 1.7 50.0 1.2 51.0 2.8 55.0 1.9 56.0 1.5 57.0 3.9 58.0 1.5 63.0 1.2 65.0 2.2 72.0 2.2 76.0 1.4 77.0 5.1 78.0 1.5 79.0 1.9 89.0 1.1 90.0 2.2 91.0 10.8 102.0 1.1 103.0 3.0 105.0 3.2 107.0 1.3 115.0 5.3 116.0 1.6 117.0 5.3 118.0 8.4 119.0 3.3 131.0 1.4 133.0 1.9 135.0 5.2 145.0 8.6 146.0 5.2 147.0 1.0 161.0 39.7 162.0 5.3 163.0 18.1 164.0 2.0 178.0 5.2 191.0 9.6 192.0 1.1 219.0 100.0 220.0 14.5 221.0 1.6 234.0 9.3 235.0 1.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C14 H18 O3 0.05 ml : 0.5 ml CDCl3 2,3-epoxypropyl p-tert-butylbenzoate 
Assign. Shift(ppm)
A 8.000 B 7.454 C 4.638 D 4.159 E 3.325 F 2.864 G 2.714 J 1.327
Hz ppm Int.3204.22 8.018 36 3202.15 8.013 183 3200.07 8.008 67 3195.43 7.996 78 3193.36 7.991 206 3191.28 7.986 44 2985.84 7.472 31 2983.89 7.467 169 2981.81 7.462 61 2977.05 7.450 75 2975.10 7.445 179 2973.02 7.440 45 1861.69 4.659 63 1858.64 4.651 61 1849.49 4.628 67 1846.44 4.621 69 1671.26 4.182 65 1665.16 4.167 67 1659.06 4.152 57 1652.83 4.136 60 1331.42 3.332 32 1330.93 3.331 35 1330.32 3.329 36 1328.25 3.324 34 1327.88 3.323 34 1327.27 3.322 36 1326.90 3.321 34 1324.10 3.314 31 1149.41 2.877 68 1145.26 2.866 77 1144.53 2.864 89 1140.38 2.854 77 1088.50 2.724 71 1085.94 2.718 79 1083.62 2.712 70 1080.93 2.705 67 530.27 1.327 1000
in CDCl3
liquid film
