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Iron, dicarbonyl(.eta.5-2,4-cyclopentadien-1-yl)[5-(phenylethynyl)-2-thienyl]-
SpectraBase Compound ID B8nRukH6PD2
InChI InChI=1S/C12H7S.C5H5.2CO.Fe/c1-2-4-11(5-3-1)6-7-12-8-9-13-10-12;1-2-4-5-3-1;2*1-2;/h1-5,8,10H;1-5H;;;
InChIKey YTYSPQHGYKPPLW-UHFFFAOYSA-N
Mol Weight 360.21 g/mol
Molecular Formula C19H12FeO2S
Exact Mass 359.990737 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID TRwFkex9CA
Name Iron, dicarbonyl(.eta.5-2,4-cyclopentadien-1-yl)[5-(phenylethynyl)-2-thienyl]-
CAS Registry Number 123380-17-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H12FeO2S
InChI InChI=1S/C12H7S.C5H5.2CO.Fe/c1-2-4-11(5-3-1)6-7-12-8-9-13-10-12;1-2-4-5-3-1;2*1-2;/h1-5,8,10H;1-5H;;;
InChIKey YTYSPQHGYKPPLW-UHFFFAOYSA-N
Molecular Weight 360.208 g/mol
SMILES [C@]12([Fe]345([C@]2([C@@]5([C@@]4([C@]13[H])[H])[H])[H])(c1scc(C#Cc2ccccc2)c1)(C#[O])C#[O])[H]
SPLASH splash10-0f7k-0495000000-98a8c0c80a3259f171bc
Source of Spectrum I-67-1310-5
Synonyms (4-(2-phenylethynyl)thiophen-2-yl)-dicarbonyl-(.eta.(5)-cyclopentadienyl)iron 1,1-bis(hydroxymethyl)-1-[4-(2-phenylethynyl)thiophen-2-yl]-1-ferrapentacyclo[2.2.0.0(1,3).0(1,5).0(2,6)]hexane Thiophene, 2-(phenylethynyl)-, iron complex
Wiley ID 1348232