METHYL (PHENYLTHIO)ACETATE(17277-58-6) 13C NMR
Product NameMETHYL (PHENYLTHIO)ACETATE
CAS17277-58-6
Molecular FormulaC9H10O2S
Molecular Weight182.24
InChIInChI=1S/C9H10O2S/c1-11-9(10)7-12-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey MUNSXQQODXYRKI-UHFFFAOYSA-N
SmilesC(OC)(=O)CSC1=CC=CC=C1
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MassMS-KW-0521 methyl (phenylthio)acetate C9H10O2S (Mass of molecular ion: 182)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.9 28.0 1.4 39.0 5.4 42.0 1.5 45.0 42.8 46.0 1.6 47.0 2.0 50.0 3.1 51.0 9.7 59.0 1.9 63.0 1.5 65.0 9.1 66.0 1.0 69.0 4.1 77.0 9.6 78.0 1.9 79.0 5.7 82.0 1.1 91.0 1.6 108.0 2.1 109.0 11.0 110.0 2.2 121.0 2.9 123.0 100.0 124.0 8.6 125.0 5.0 182.0 49.7 183.0 5.4 184.0 2.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C9H10O2S 0.05 ml : 0.5 ml CDCl3 methyl (phenylthio)acetate 
Assign. Shift(ppm)
A 7.385 B 7.281 C 7.209 D 3.681 E 3.630
Hz ppm Int.2958.01 7.400 165 2956.55 7.396 229 2954.59 7.391 68 2950.69 7.381 134 2949.47 7.378 237 2948.37 7.375 223 2946.05 7.370 36 2918.83 7.302 44 2917.97 7.299 92 2917.00 7.297 150 2915.17 7.292 58 2911.99 7.284 57 2909.80 7.279 281 2908.21 7.275 136 2903.57 7.263 81 2902.10 7.260 152 2888.31 7.225 73 2886.97 7.222 130 2885.75 7.219 72 2881.84 7.209 51 2879.64 7.204 131 2877.32 7.198 37 2873.66 7.189 31 2872.44 7.185 50 2871.10 7.182 27 1543.71 3.862 10 1521.12 3.805 6 1490.73 3.729 5 1471.20 3.680 1000 1451.18 3.630 740 1396.25 3.493 10 1379.77 3.452 7
in CDCl3
Liquid film
