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Tricarbonyl-[6-isopropyl-6-hydroxycyclohepta-2,4-dien-1-one]iron
SpectraBase Compound ID 2pCJc9V1vRQ
InChI InChI=1S/C10H14O2.3CO.Fe/c1-8(2)10(12)6-4-3-5-9(11)7-10;3*1-2;/h3-6,8,12H,7H2,1-2H3;;;;
InChIKey VJIRRTKDLVGDBY-UHFFFAOYSA-N
Mol Weight 306.095 g/mol
Molecular Formula C13H14FeO5
Exact Mass 306.01906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BmsfUeUUPgZ
Name Tricarbonyl-[6-isopropyl-6-hydroxycyclohepta-2,4-dien-1-one]iron
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14FeO5
InChI InChI=1S/C10H14O2.3CO.Fe/c1-8(2)10(12)6-4-3-5-9(11)7-10;3*1-2;/h3-6,8,12H,7H2,1-2H3;;;;
InChIKey VJIRRTKDLVGDBY-UHFFFAOYSA-N
Molecular Weight 306.095 g/mol
SMILES [Fe].OC1(CC(C=CC=C1)=O)C(C)C.[O+]#[C-].[O+]#[C-].[O+]#[C-]
SPLASH splash10-0fi0-0490000000-ff1431259d238fa23dcb
Source of Spectrum AG-570-265-0
Wiley ID 1307714