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iron(II) 2-(N-(1-(cyclopenta-1,4-dien-3-ide-1-yl)-3-ethoxy-3-oxoprop-1-en-2-yl)-P,P-diphenylphosphorimidoyl)cyclopenta-2,4-dien-1-ide 2-(diphenylphosphaneyl)cyclopenta-2,4-dien-1-ide cyclopenta-2,4-dien-1-ide
SpectraBase Compound ID 2zdqHHb7gtx
InChI InChI=1S/C27H24NO2P.C17H14P.C5H5.2Fe/c1-2-30-27(29)26(21-22-13-9-10-14-22)28-31(25-19-11-12-20-25,23-15-5-3-6-16-23)24-17-7-4-8-18-24;1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-2-4-5-3-1;;/h3-21H,2H2,1H3;1-14H;1-5H;;/q-2;2*-1;2*+2
InChIKey HQPPKQYIYBDTBO-UHFFFAOYSA-N
Mol Weight 851.53 g/mol
Molecular Formula C49H43Fe2NO2P2
Exact Mass 851.146776 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Sj17sssOy9
Name iron(II) 2-(N-(1-(cyclopenta-1,4-dien-3-ide-1-yl)-3-ethoxy-3-oxoprop-1-en-2-yl)-P,P-diphenylphosphorimidoyl)cyclopenta-2,4-dien-1-ide 2-(diphenylphosphaneyl)cyclopenta-2,4-dien-1-ide cyclopenta-2,4-dien-1-ide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C49H43Fe2NO2P2
InChI InChI=1S/C27H24NO2P.C17H14P.C5H5.2Fe/c1-2-30-27(29)26(21-22-13-9-10-14-22)28-31(25-19-11-12-20-25,23-15-5-3-6-16-23)24-17-7-4-8-18-24;1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-2-4-5-3-1;;/h3-21H,2H2,1H3;1-14H;1-5H;;/q-2;2*-1;2*+2
InChIKey HQPPKQYIYBDTBO-UHFFFAOYSA-N
Molecular Weight 851.526 g/mol
SMILES [Fe+2].[Fe+2].[cH-]1cccc1.c1c(c[cH-]c1)C=C(C(=O)OCC)N=P(c1ccccc1)(c1ccccc1)c1[cH-]ccc1.[cH-]1c(ccc1)P(c1ccccc1)c1ccccc1
SPLASH splash10-0udi-0204005090-584e14471dadcc046578
Source of Spectrum U2-1998-1365-4
Wiley ID 1790731