2-ACETYL-5-CHLOROTHIOPHENE(6310-09-4) 13C NMR
Product Name2-ACETYL-5-CHLOROTHIOPHENE
CAS6310-09-4
Molecular FormulaC6H5ClOS
Molecular Weight160.62
InChIInChI=1S/C6H5ClOS/c1-4(8)5-2-3-6(7)9-5/h2-3H,1H3
InChIKey HTZGPEHWQCRXGZ-UHFFFAOYSA-N
SmilesC(=O)(C1SC(Cl)=CC=1)C
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MassMS-KW-0222 2-acetyl-5-chlorothiophene C6H5ClOS (Mass of molecular ion: 160)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 3.8 36.0 1.1 37.0 2.9 38.0 4.4 39.0 3.0 42.0 1.4 43.0 20.3 44.0 1.6 45.0 4.7 47.0 1.1 49.0 1.1 50.0 1.7 51.0 1.2 53.0 2.0 57.0 4.5 58.0 1.7 58.5 1.2 69.0 3.0 73.0 21.0 74.0 1.1 75.0 6.5 79.0 2.0 81.0 4.5 82.0 5.2 83.0 3.8 84.0 1.1 117.0 10.1 118.0 3.2 119.0 4.0 120.0 1.2 145.0 100.0 146.0 6.3 147.0 36.6 148.0 2.3 149.0 1.5 160.0 43.2 161.0 3.4 162.0 15.9 163.0 1.2
400 MHz in CDCl3
in CDCl3
KBr disk
Nujol
