1-(2-Thienyl)-1-propanone(13679-75-9) MS
Product Name1-(2-Thienyl)-1-propanone
CAS13679-75-9
Molecular FormulaC7H8OS
Molecular Weight140.2
InChIInChI=1S/C7H8OS/c1-2-6(8)7-4-3-5-9-7/h3-5H,2H2,1H3
InChIKey MFPZQZZWAMAHOY-UHFFFAOYSA-N
SmilesC(C1SC=CC=1)(=O)CC
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MassMS-IW-2216 1-(2-thienyl)-1-propanone C7H8OS (Mass of molecular ion: 140)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 2.7 28.0 1.1 29.0 3.7 38.0 1.1 39.0 15.6 45.0 2.8 55.0 1.0 57.0 2.9 58.0 1.2 82.0 1.4 83.0 7.6 84.0 1.1 111.0 100.0 112.0 6.5 113.0 4.9 140.0 24.8 141.0 2.2 142.0 1.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H8 O S 0.05 ml : 0.5 ml CDCl3 1-(2-thienyl)-1-propanone 
Assign. Shift(ppm)
A 7.703 B 7.605 C 7.109 D 2.923 E 1.216 J(A,B)=1.2 Hz J(A,C)=3.8 Hz J(B,C)=5.0 Hz
Hz ppm Int.3081.30 7.710 275 3080.08 7.707 270 3077.51 7.701 273 3076.29 7.698 270 3042.60 7.614 303 3041.50 7.611 292 3037.72 7.601 324 3036.50 7.598 285 2845.46 7.120 319 2841.67 7.111 320 2840.45 7.108 297 2836.67 7.098 281 1179.44 2.952 226 1172.12 2.933 585 1164.79 2.915 592 1157.47 2.897 238 493.29 1.235 664 485.96 1.216 1000 478.64 1.198 594
in CDCl3
liquid film
