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Pentacarbonyl-{N-[3-ethoxy-1-(2'-pyridylthio)-4,5,6,7-tetrahydro-3aH-indene]}-tungsten
SpectraBase Compound ID 2xPslJ8HgQM
InChI InChI=1S/C16H19NOS.5CO.W/c1-2-18-14-11-15(13-8-4-3-7-12(13)14)19-16-9-5-6-10-17-16;5*1-2;/h5-6,9-12H,2-4,7-8H2,1H3;;;;;;/q;;;;;;+1/t12-;;;;;;/m1....../s1
InChIKey KKRIUCIJPPNKHT-ANFOYOKBSA-N
Mol Weight 597.29 g/mol
Molecular Formula C21H19NO6SW
Exact Mass 597.044242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6wQujvamhGN
Name Pentacarbonyl-{N-[3-ethoxy-1-(2'-pyridylthio)-4,5,6,7-tetrahydro-3aH-indene]}-tungsten
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19NO6SW
InChI InChI=1S/C16H19NOS.5CO.W/c1-2-18-14-11-15(13-8-4-3-7-12(13)14)19-16-9-5-6-10-17-16;5*1-2;/h5-6,9-12H,2-4,7-8H2,1H3;;;;;;/q;;;;;;+1/t12-;;;;;;/m1....../s1
InChIKey KKRIUCIJPPNKHT-ANFOYOKBSA-N
Molecular Weight 597.285 g/mol
SMILES c1([n+]([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])cccc1)SC=1C=C(OCC)[C@]2(C1CCCC2)[H]
SPLASH splash10-0a4r-0000910000-86c18f26125b1ea01a75
Source of Spectrum K1-2002-364-3
Synonyms Pentacarbonyl[3-ethoxy-1-(2-pyridylthio)-4,5,7,7-tetrahydro-3aH-indene-N]tungsten
Wiley ID 1521914