For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-Benzyl-5-(.beta.-ferroceneylmethylene)-2-[2-(.beta.-ferroceneylmethylene)-1-ethoxycarbonylethenyl]imidazole-4-one
SpectraBase Compound ID 3OcJFYjlpGC
InChI InChI=1S/C26H23N3O3.2C5H5.2Fe/c1-2-32-25(31)23(17-20-12-8-9-13-20)28-26-27-22(16-19-10-6-7-11-19)24(30)29(26)18-21-14-4-3-5-15-21;2*1-2-4-5-3-1;;/h3-17H,2,18H2,1H3,(H,27,28);2*1-5H;;/b22-16-,23-17+;;;;
InChIKey LXVDJIYFNMWYBD-FFUXKPNNSA-N
Mol Weight 667.4 g/mol
Molecular Formula C36H33Fe2N3O3
Exact Mass 667.122064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID GRoP0oeABlX
Name 3-Benzyl-5-(.beta.-ferroceneylmethylene)-2-[2-(.beta.-ferroceneylmethylene)-1-ethoxycarbonylethenyl]imidazole-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H33Fe2N3O3
InChI InChI=1S/C26H23N3O3.2C5H5.2Fe/c1-2-32-25(31)23(17-20-12-8-9-13-20)28-26-27-22(16-19-10-6-7-11-19)24(30)29(26)18-21-14-4-3-5-15-21;2*1-2-4-5-3-1;;/h3-17H,2,18H2,1H3,(H,27,28);2*1-5H;;/b22-16-,23-17+;;;;
InChIKey LXVDJIYFNMWYBD-FFUXKPNNSA-N
Molecular Weight 667.368 g/mol
SMILES N1C(C(N(C1=NC(=CC12[Fe]3456789(C%10C5C3C8C7%10)C1C6C4C29)C(=O)OCC)Cc1ccccc1)=O)=CC12[Fe]3456789(C2C5C4C13)C1C6C7C8C91
SPLASH splash10-0006-9330000000-c2c8374bd8d36fbb04e5
Source of Spectrum AT-37-7832-9a
Wiley ID 853714