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Ferrocene, 1,2-diacetyl-1',4-(1,3-propanediyl)-
SpectraBase Compound ID 49T5LjltLQ6
InChI InChI=1S/C17H18O2.Fe/c1-12(18)16-10-15(11-17(16)13(2)19)9-5-8-14-6-3-4-7-14;/h3-4,6-7,10-11H,5,8-9H2,1-2H3;/q-10;
InChIKey RVMJYCGODMHXGY-UHFFFAOYSA-N
Mol Weight 310.174 g/mol
Molecular Formula C17H18FeO2
Exact Mass 310.065616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FM8YqRTuFYP
Name Ferrocene, 1,2-diacetyl-1',4-(1,3-propanediyl)-
Alternate Name(s) 1,2-Diacetyl-4-[3-(cyclopentane-1,2,3,4,5-pentaid-1-yl)propyl]cyclopentane-1,2,3,4,5-pentaide iron 3,4-Diacetyl(3)ferrocenophane
CAS Registry Number 41558-93-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18FeO2
InChI InChI=1S/C17H18O2.Fe/c1-12(18)16-10-15(11-17(16)13(2)19)9-5-8-14-6-3-4-7-14;/h3-4,6-7,10-11H,5,8-9H2,1-2H3;/q-10;
InChIKey RVMJYCGODMHXGY-UHFFFAOYSA-N
Molecular Weight 310.174 g/mol
SMILES CC(=O)[C-]1[CH-][C-](CCC[C-]2[CH-][CH-][CH-][CH-]2)[CH-][C-]1C(C)=O.[Fe]
SPLASH splash10-03di-0129000000-226873683b08a7f1f3a5
Source of Spectrum O-6-1280-5
Wiley ID 46157