(R)-(+)-3-(ACETYLTHIO)ISOBUTYRIC ACID METHYL ESTER(86961-07-1) 13C NMR
Product Name(R)-(+)-3-(ACETYLTHIO)ISOBUTYRIC ACID METHYL ESTER
CAS86961-07-1
Molecular FormulaC7H12O3S
Molecular Weight176.23
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MassMS-IW-9088 methyl (R)-3-acetylthio-2-methylpropionate C7H12O3S (Mass of molecular ion: 176)
Source Temperature: 210 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.4 15.0 7.2 27.0 2.2 28.0 2.8 29.0 2.0 31.0 1.7 32.0 1.0 33.0 1.5 39.0 4.0 40.0 1.0 41.0 12.5 42.0 32.0 43.0 100.0 44.0 2.5 45.0 5.2 46.0 1.6 47.0 3.0 55.0 1.7 56.0 1.9 57.0 3.0 59.0 7.4 69.0 5.1 73.0 3.1 74.0 4.3 75.0 4.1 77.0 1.1 87.0 2.0 88.0 3.5 101.0 9.7 102.0 6.0 103.0 3.7 116.0 2.9 117.0 2.1 133.0 5.8 134.0 12.6 135.0 1.1 144.0 16.6 145.0 7.4 146.0 1.3 176.0 3.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H12 O3 S 0.05 ml : 0.5 ml CDCl3 methyl (R)-3-acetylthio-2-methylpropionate 
Assign. Shift(ppm)
A 3.699 B *1 3.107 C *1 3.053 D 2.699 E 2.336 F 1.241
Hz ppm Int.1478.52 3.700 1000 1255.49 3.142 61 1247.92 3.123 66 1241.82 3.108 158 1234.38 3.089 171 1227.05 3.071 165 1220.95 3.056 181 1213.50 3.037 66 1207.28 3.021 67 1089.11 2.726 52 1082.89 2.710 63 1081.91 2.708 77 1075.68 2.692 75 1074.58 2.689 61 1068.36 2.674 48 933.72 2.337 968 499.76 1.251 591 492.68 1.233 589
in CDCl3
liquid film
