Product Name2-ACETYL-4-METHYLTHIOPHENE
CAS13679-73-7
Molecular FormulaC7H8OS
Molecular Weight140.2
InChIInChI=1S/C7H8OS/c1-5-3-7(6(2)8)9-4-5/h3-4H,1-2H3
InChIKey NFZNHUNPIJPRMP-UHFFFAOYSA-N
SmilesC(=O)(C1SC=C(C)C=1)C
Mass
MS-NW-7536 2-acetyl-4-methylthiophene C7H8OS (Mass of molecular ion: 140)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 3.9 27.0 4.3 37.0 1.2 38.0 2.1 39.0 6.6 42.0 1.0 43.0 13.6 45.0 16.2 47.0 1.4 50.0 2.3 51.0 3.5 52.0 1.3 53.0 17.9 57.0 2.9 58.0 1.5 62.0 1.7 63.0 1.6 69.0 6.0 70.0 2.1 71.0 2.8 82.0 1.6 95.0 1.7 96.0 1.2 97.0 18.2 98.0 1.4 125.0 100.0 126.0 7.7 127.0 5.0 140.0 40.6 141.0 3.9 142.0 2.3
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C7 H8 O S | 0.05 ml : 0.5 ml CDCl3 |
2-acetyl-4-methylthiophene |
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Assign. Shift(ppm) |
Hz ppm Int.
671.63 7.500 93 671.25 7.495 95 670.19 7.484 107 669.81 7.479 98 647.88 7.235 33 646.94 7.224 80 645.94 7.213 96 644.56 7.197 71 643.63 7.187 30 227.31 2.539 39 224.44 2.507 1000 204.13 2.280 360 203.69 2.275 370 203.13 2.269 377
in CDCl3
liquid film
2-ACETYL-4-METHYLTHIOPHENE(13679-73-7) MS Atlas of Related Products
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