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1-Methoxy-2-(trifluoromethylsulfonyl)ferrocene
SpectraBase Compound ID E4VhUM03Sop
InChI InChI=1S/C7H6F3O3S.C5H5.Fe/c1-13-5-3-2-4-6(5)14(11,12)7(8,9)10;1-2-4-5-3-1;/h2-4H,1H3;1-5H;/q2*-1;+2
InChIKey YYBLMZVVFIERTD-UHFFFAOYSA-N
Mol Weight 348.117 g/mol
Molecular Formula C12H11F3FeO3S
Exact Mass 347.973036 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8uXdE56CKUD
Name 1-Methoxy-2-(trifluoromethylsulfonyl)ferrocene
Alternate Name(s) Iron(II) 2-methoxy-3-((trifluoromethyl)sulfonyl)cyclopenta-2,4-dien-1-ide cyclopenta-2,4-dien-1-ide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11F3FeO3S
InChI InChI=1S/C7H6F3O3S.C5H5.Fe/c1-13-5-3-2-4-6(5)14(11,12)7(8,9)10;1-2-4-5-3-1;/h2-4H,1H3;1-5H;/q2*-1;+2
InChIKey YYBLMZVVFIERTD-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201000068
Molecular Weight 348.117 g/mol
SMILES c1(S(=O)(=O)C(F)(F)F)c([cH-]cc1)OC.c1ccc[cH-]1.[Fe+2]
SPLASH splash10-0002-1809000000-e72db56554106a25b25f
Source of Spectrum ASC-352-1352-12
Wiley ID 1764476