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3-(2-Acetyl-3-benzo[b]thienyl)-2-pyridinyl trifluoromethanesulfonate
SpectraBase Compound ID 1N7AtttySDd
InChI InChI=1S/C16H10F3NO4S2/c1-9(21)14-13(10-5-2-3-7-12(10)25-14)11-6-4-8-20-15(11)24-26(22,23)16(17,18)19/h2-8H,1H3
InChIKey INTIFZGDHUQETE-UHFFFAOYSA-N
Mol Weight 401.37 g/mol
Molecular Formula C16H10F3NO4S2
Exact Mass 401.000335 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CA2NBcrBRBQ
Name 3-(2-Acetyl-3-benzo[b]thienyl)-2-pyridinyl trifluoromethanesulfonate
Alternate Name(s) 3-(2-acetyl-1-benzothien-3-yl)-2-pyridinyl trifluoromethanesulfonate Trifluoromethanesulfonic acid [3-(2-acetyl-1-benzothiophen-3-yl)-2-pyridinyl] ester [3-(2-acetyl-1-benzothiophen-3-yl)pyridin-2-yl] trifluoromethanesulfonate [3-(2-acetylbenzothiophen-3-yl)-2-pyridyl] trifluoromethanesulfonate [3-(2-ethanoyl-1-benzothiophen-3-yl)pyridin-2-yl] tris(fluoranyl)methanesulfonate
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Formula C16H10F3NO4S2
InChI InChI=1S/C16H10F3NO4S2/c1-9(21)14-13(10-5-2-3-7-12(10)25-14)11-6-4-8-20-15(11)24-26(22,23)16(17,18)19/h2-8H,1H3
InChIKey INTIFZGDHUQETE-UHFFFAOYSA-N
Molecular Weight 401.374 g/mol
SMILES c1(OS(C(F)(F)F)(=O)=O)c(-c2c(sc3c2cccc3)C(=O)C)cccn1
SPLASH splash10-0udi-4090000000-bad0d73692b9c80b5ecd
Source of Spectrum E2-48-1563-16
Wiley ID 1555392