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Methyl 5-nitro-3-(trifluoromethylsulfonyloxy)benzo[b]thiophene-2-carboxylate
SpectraBase Compound ID 1TMcu65OL7e
InChI InChI=1S/C11H6F3NO7S2/c1-21-10(16)9-8(22-24(19,20)11(12,13)14)6-4-5(15(17)18)2-3-7(6)23-9/h2-4H,1H3
InChIKey PSDAILWURPUCPR-UHFFFAOYSA-N
Mol Weight 385.28 g/mol
Molecular Formula C11H6F3NO7S2
Exact Mass 384.953778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1HjBq7Z9FY
Name Methyl 5-nitro-3-(trifluoromethylsulfonyloxy)benzo[b]thiophene-2-carboxylate
Appearance Pale yellow crystalline powder
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Formula C11H6F3NO7S2
InChI InChI=1S/C11H6F3NO7S2/c1-21-10(16)9-8(22-24(19,20)11(12,13)14)6-4-5(15(17)18)2-3-7(6)23-9/h2-4H,1H3
InChIKey PSDAILWURPUCPR-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 385.284 g/mol
Reported Formula C11H6F3NO7S2
SMILES c1([N+](=O)[O-])ccc2sc(C(=O)OC)c(OS(=O)(=O)C(F)(F)F)c2c1
SPLASH splash10-0fr2-6982000000-18c27e79892c682b5b4b
Source of Spectrum US20140045821A1
Wiley ID 1848095