2-Thiopheneacetic acid(1918-77-0) IR3
Product Name2-Thiopheneacetic acid
CAS1918-77-0
Molecular FormulaC6H6O2S
Molecular Weight142.18
InChIInChI=1S/C6H6O2S/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2,(H,7,8)
InChIKey SMJRBWINMFUUDS-UHFFFAOYSA-N
SmilesC1(CC(O)=O)SC=CC=1
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MassMS-NW-1408 2-thiopheneacetic acid C6H6O2S (Mass of molecular ion: 142)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 3.0 37.0 1.2 38.0 2.1 39.0 6.1 45.0 19.7 47.0 1.5 48.5 1.0 50.0 1.6 51.0 2.4 52.0 1.2 53.0 11.6 57.0 1.6 58.0 2.6 63.0 1.8 69.0 3.8 70.0 1.7 71.0 1.8 95.0 1.1 96.0 1.1 97.0 100.0 98.0 6.8 99.0 4.7 142.0 40.1 143.0 3.1 144.0 2.1
in CDCl3
CCl4 solution
KBr disc
nujol mull
