P-TOLUENESULFONIC ACID (S)-2-METHYLBUTYL ESTER(38261-81-3) 13C NMR
Product NameP-TOLUENESULFONIC ACID (S)-2-METHYLBUTYL ESTER
CAS38261-81-3
Molecular FormulaC12H18O3S
Molecular Weight242.33
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MassMS-IW-8206 (S)-(+)-2-methylbutyl p-toluenesulfonate C12H18O3S (Mass of molecular ion: 242)
Source Temperature: 180 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 3.1 28.0 1.5 29.0 7.1 39.0 7.2 41.0 10.6 42.0 9.8 43.0 6.0 51.0 1.8 53.0 1.7 55.0 25.2 56.0 2.6 57.0 5.1 63.0 2.6 65.0 15.2 69.0 1.9 70.0 100.0 71.0 9.6 77.0 1.8 79.0 1.3 89.0 3.6 90.0 2.5 91.0 63.5 92.0 14.9 93.0 2.2 107.0 4.3 108.0 3.4 139.0 2.3 155.0 71.9 156.0 10.9 157.0 11.0 158.0 1.1 172.0 6.1 173.0 26.7 174.0 2.5 175.0 1.3 185.0 1.2 212.0 2.1 242.0 2.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H18 O3 S 0.05 ml : 0.5 ml CDCl3 (S)-(+)-2-methylbutyl p-toluenesulfonate 
Assign. Shift(ppm)
A 7.787 B 7.355 C *1 3.878 D *1 3.798 E 2.445 F 1.701 G *2 1.385 J *2 1.141 K 0.875 L 0.825
Hz ppm Int.3116.46 7.798 336 3114.62 7.794 123 3109.74 7.782 140 3108.03 7.777 383 2942.50 7.363 268 2941.89 7.362 287 2933.96 7.342 274 1559.20 3.902 100 1553.34 3.887 106 1549.80 3.878 211 1543.95 3.864 211 1533.94 3.839 206 1527.59 3.823 211 1524.54 3.815 106 1518.19 3.799 106 977.42 2.446 1000 690.80 1.729 41 684.45 1.713 66 677.73 1.696 68 671.02 1.680 47 568.24 1.422 43 562.50 1.408 56 560.79 1.404 50 554.93 1.389 86 548.95 1.374 60 547.24 1.370 69 541.50 1.355 55 471.31 1.180 63 463.87 1.161 95 457.52 1.145 67 456.42 1.143 76 450.07 1.127 77 448.36 1.122 46 442.63 1.108 51 357.67 0.895 32 353.39 0.885 855 351.07 0.879 64 346.56 0.868 836 337.28 0.844 414 329.83 0.826 819 322.39 0.807 348
in CDCl3
liquid film
