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2-[Dicarbonyl(cyclopentadienyl)-iron]-5-(2'-pyridynium)thiophene - (trifluoromethyl) salt
SpectraBase Compound ID LUixEozJRG
InChI InChI=1S/C9H6NS.C5H5.2CO.Fe/c1-2-6-10-8(4-1)9-5-3-7-11-9;1-2-4-5-3-1;2*1-2;/h1-6H;1-5H;;;/q;;2*+1;/p+1
InChIKey QTOKVMNXGCBAIK-UHFFFAOYSA-O
Mol Weight 338.18 g/mol
Molecular Formula C16H12FeNO2S
Exact Mass 337.993811 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 31ZppN40mfu
Name 2-[Dicarbonyl(cyclopentadienyl)-iron]-5-(2'-pyridynium)thiophene - (trifluoromethyl) salt
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12FeNO2S
InChI InChI=1S/C9H6NS.C5H5.2CO.Fe/c1-2-6-10-8(4-1)9-5-3-7-11-9;1-2-4-5-3-1;2*1-2;/h1-6H;1-5H;;;/q;;2*+1;/p+1
InChIKey QTOKVMNXGCBAIK-UHFFFAOYSA-O
Molecular Weight 338.182 g/mol
SMILES c1([Fe](C#[O+])(C#[O+])C2C=CC=C2)sc(-c2[nH+]cccc2)cc1
SPLASH splash10-03dr-1911000000-65d81377b7447ca12bc7
Source of Spectrum KA-0-4431-0
Synonyms 2-[Dicarbonyl(cyclopentadienyl)-iron]-5-(2'-pyridynium)thiophene
Wiley ID 1333480