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Ferrocene, 1-benzoyl-2-(1,1-dimethylethyl)-
SpectraBase Compound ID 5A2f0j6LJzR
InChI InChI=1S/C16H17O.C5H5.Fe/c1-16(2,3)14-11-7-10-13(14)15(17)12-8-5-4-6-9-12;1-2-4-5-3-1;/h4-11H,1-3H3;1-5H;/q2*-5;
InChIKey IGTILDKIDBGOAI-UHFFFAOYSA-N
Mol Weight 346.25 g/mol
Molecular Formula C21H22FeO
Exact Mass 346.102001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L7DPOojfEp0
Name Ferrocene, 1-benzoyl-2-(1,1-dimethylethyl)-
CAS Registry Number 36485-01-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22FeO
InChI InChI=1S/C16H17O.C5H5.Fe/c1-16(2,3)14-11-7-10-13(14)15(17)12-8-5-4-6-9-12;1-2-4-5-3-1;/h4-11H,1-3H3;1-5H;/q2*-5;
InChIKey IGTILDKIDBGOAI-UHFFFAOYSA-N
Molecular Weight 346.251 g/mol
SMILES CC(C)(C)[C-]1[CH-][CH-][CH-][C-]1C(=O)c1ccccc1.[Fe].[CH-]1[CH-][CH-][CH-][CH-]1
SPLASH splash10-002b-5439000000-e5c7e73e81face64b0a9
Source of Spectrum W5-0-0-0
Synonyms 2-Benzoyl-1-tert-butylcyclopentane-1,2,3,4,5-pentaide cyclopentane-1,2,3,4,5-pentaide iron
Wiley ID 1339434