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[(E)-3-(BENZYLTHIO)-1-(DIETHYLAMINO)-2-METHYL-3-PHENYL-2-PROPENYLIDENE]-PENTACARBONYLTUNGSTEN
SpectraBase Compound ID OqgoJQ4ahC
InChI InChI=1S/C21H25NS.5CO.W/c1-4-22(5-2)16-18(3)21(20-14-10-7-11-15-20)23-17-19-12-8-6-9-13-19;5*1-2;/h6-15H,4-5,17H2,1-3H3;;;;;;/b21-18+;;;;;;
InChIKey XQGXOHPFGZFMPH-BNZDVGMHSA-N
Mol Weight 647.39 g/mol
Molecular Formula C26H25NO5SW
Exact Mass 647.096277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FnTdAtzDViI
Name [(E)-3-(Benzylthio)-1-(diethylamino)-2-methyl-3-phenyl-2-propenyliden]Pentacarboyltungustan
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H25NO5SW
InChI InChI=1S/C21H25NS.5CO.W/c1-4-22(5-2)16-18(3)21(20-14-10-7-11-15-20)23-17-19-12-8-6-9-13-19;5*1-2;/h6-15H,4-5,17H2,1-3H3;;;;;;/b21-18+;;;;;;
InChIKey XQGXOHPFGZFMPH-BNZDVGMHSA-N
Literature Reference DOI 10.1002/cber.19901230628
Molecular Weight 648.397 g/mol
SMILES [W].C(S\C(=C\([CH]N(CC)CC)C)c1ccccc1)c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
SPLASH splash10-00lu-9200000000-815f47e9e32e093a064e
Source of Spectrum K-123-1373-(E)_3g
Wiley ID 1792115