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5-Ferrocenylcarbonyl-6-methyl-4-phenyl-3,4-dihydropyrimidin-2(1H)-thione

View entire compound with spectra: 1 MS (GC)

5-Ferrocenylcarbonyl-6-methyl-4-phenyl-3,4-dihydropyrimidin-2(1H)-thione
SpectraBase Compound ID FRLym12TgGA
InChI InChI=1S/C17H15N2OS.C5H5.Fe/c1-11-14(16(20)13-9-5-6-10-13)15(19-17(21)18-11)12-7-3-2-4-8-12;1-2-4-5-3-1;/h2-10,15H,1H3,(H2,18,19,21);1-5H;
InChIKey IELBFXSJTLJLOY-UHFFFAOYSA-N
Mol Weight 407.248 g/mol
Molecular Formula C22H11FeN2OS
Exact Mass 406.994145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D2BumGGvmkV
Name 5-Ferrocenylcarbonyl-6-methyl-4-phenyl-3,4-dihydropyrimidin-2(1H)-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20FeN2OS
InChI InChI=1S/C17H15N2OS.C5H5.Fe/c1-11-14(16(20)13-9-5-6-10-13)15(19-17(21)18-11)12-7-3-2-4-8-12;1-2-4-5-3-1;/h2-10,15H,1H3,(H2,18,19,21);1-5H;
InChIKey IELBFXSJTLJLOY-UHFFFAOYSA-N
Molecular Weight 407.248 g/mol
SMILES [C]1[C][C][C][C]1.N1C(=C(C(NC1=S)c1ccccc1)C(=O)[C]1[C][C][C][C]1)C.[Fe]
SPLASH splash10-001i-9101300000-5ebb13c1b8fc2b615f28
Source of Spectrum AU-672-53-5
Wiley ID 1575632