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N,N-di((n)butyl)-N'-fenerocenoylthiourea
SpectraBase Compound ID KVLGOXQOBrZ
InChI InChI=1S/C15H23N2OS.C5H5.Fe/c1-3-5-11-17(12-6-4-2)15(19)16-14(18)13-9-7-8-10-13;1-2-4-5-3-1;/h7-10H,3-6,11-12H2,1-2H3,(H,16,18,19);1-5H;/q2*-1;+2
InChIKey QISCOBUHPLERSU-UHFFFAOYSA-N
Mol Weight 400.36 g/mol
Molecular Formula C20H28FeN2OS
Exact Mass 400.127171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JGZHkGxYPib
Name N,N-di((n)butyl)-N'-fenerocenoylthiourea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28FeN2OS
InChI InChI=1S/C15H23N2OS.C5H5.Fe/c1-3-5-11-17(12-6-4-2)15(19)16-14(18)13-9-7-8-10-13;1-2-4-5-3-1;/h7-10H,3-6,11-12H2,1-2H3,(H,16,18,19);1-5H;/q2*-1;+2
InChIKey QISCOBUHPLERSU-UHFFFAOYSA-N
Literature Reference DOI 10.1002/zaac.19966220421
Molecular Weight 400.362 g/mol
SMILES [cH-]1cccc1.[Fe+2].N(C(c1ccc[cH-]1)=O)C(N(CCCC)CCCC)=S
SPLASH splash10-00di-2690000000-de55fc1c896b19969f75
Source of Spectrum DZ-622-697-1b
Synonyms iron(II) 2-((dibutylcarbamothioyl)carbamoyl)cyclopenta-2,4-dien-1-ide cyclopenta-2,4-dien-1-ide
Wiley ID 1797931