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N,N-di((n)hexyl)-N'-fenerocenoylthiourea

View entire compound with spectra: 1 MS (GC)

N,N-di((n)hexyl)-N'-fenerocenoylthiourea
SpectraBase Compound ID 65TngCbsOGb
InChI InChI=1S/C19H31N2OS.C5H5.Fe/c1-3-5-7-11-15-21(16-12-8-6-4-2)19(23)20-18(22)17-13-9-10-14-17;1-2-4-5-3-1;/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3,(H,20,22,23);1-5H;/q2*-1;+2
InChIKey OXRDYVQTRZSIND-UHFFFAOYSA-N
Mol Weight 456.47 g/mol
Molecular Formula C24H36FeN2OS
Exact Mass 456.189771 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5czbLZPcfPh
Name N,N-di((n)hexyl)-N'-fenerocenoylthiourea
Alternate Name(s) iron(II) 2-((dihexylcarbamothioyl)carbamoyl)cyclopenta-2,4-dien-1-ide cyclopenta-2,4-dien-1-ide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36FeN2OS
InChI InChI=1S/C19H31N2OS.C5H5.Fe/c1-3-5-7-11-15-21(16-12-8-6-4-2)19(23)20-18(22)17-13-9-10-14-17;1-2-4-5-3-1;/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3,(H,20,22,23);1-5H;/q2*-1;+2
InChIKey OXRDYVQTRZSIND-UHFFFAOYSA-N
Literature Reference DOI 10.1002/zaac.19966220421
Molecular Weight 456.470 g/mol
SMILES [Fe+2].[cH-]1cccc1.N(C(c1ccc[cH-]1)=O)C(N(CCCCCC)CCCCCC)=S
SPLASH splash10-03dj-1925000000-96c00453f1cba92f8296
Source of Spectrum DZ-622-697-1d
Wiley ID 1797932