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Ferrocene, [4-(acetyloxy)-1-butenyl]-
SpectraBase Compound ID KojF2AGsi0
InChI InChI=1S/C11H13O2.C5H5.Fe/c1-10(12)13-9-5-4-8-11-6-2-3-7-11;1-2-4-5-3-1;/h2-4,6-8H,5,9H2,1H3;1-5H;
InChIKey VGQRUZVAYGVCSN-UHFFFAOYSA-N
Mol Weight 289.091 g/mol
Molecular Formula C16H9FeO2
Exact Mass 288.995191 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EQlFiWxrViZ
Name Ferrocene, [4-(acetyloxy)-1-butenyl]-
Alternate Name(s) 1-Acetoxy-4-ferrocenylbut-3-ene 1-[(1E)-4-(acetyloxy)but-1-en-1-yl]cyclopentane-1,2,3,4,5-pentaide cyclopentane-1,2,3,4,5-pentaide iron
CAS Registry Number 33134-57-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18FeO2
InChI InChI=1S/C11H13O2.C5H5.Fe/c1-10(12)13-9-5-4-8-11-6-2-3-7-11;1-2-4-5-3-1;/h2-4,6-8H,5,9H2,1H3;1-5H;
InChIKey VGQRUZVAYGVCSN-UHFFFAOYSA-N
Molecular Weight 289.091 g/mol
SMILES [C]1[C][C][C][C]1.C(=O)(OCC\C=C\[C]1[C][C][C][C]1)C.[Fe]
SPLASH splash10-00ds-3890000000-0853b035e49cb21643b4
Source of Spectrum AD-0-5489-0
Wiley ID 44095