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3-Chloro-5-(ethynylferrocenyl)-4H-1,2,6-thiadiazin-4-one

View entire compound with spectra: 1 MS (GC)

3-Chloro-5-(ethynylferrocenyl)-4H-1,2,6-thiadiazin-4-one
SpectraBase Compound ID 8nNQKznStSf
InChI InChI=1S/C10H4ClN2OS.C5H5.Fe/c11-10-9(14)8(12-15-13-10)6-5-7-3-1-2-4-7;1-2-4-5-3-1;/h1-4H;1-5H;
InChIKey ZRUVGPXZWFJIGF-UHFFFAOYSA-N
Mol Weight 356.61 g/mol
Molecular Formula C15H9ClFeN2OS
Exact Mass 355.947348 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8CNdKDo1Kho
Name 3-Chloro-5-(ethynylferrocenyl)-4H-1,2,6-thiadiazin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H9ClFeN2OS
InChI InChI=1S/C10H4ClN2OS.C5H5.Fe/c11-10-9(14)8(12-15-13-10)6-5-7-3-1-2-4-7;1-2-4-5-3-1;/h1-4H;1-5H;
InChIKey ZRUVGPXZWFJIGF-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol201212b
Molecular Weight 356.608 g/mol
SMILES C12C3C4[Fe]2323567(C8C3(C5C6C28)C#CC2=NSN=C(C2=O)Cl)C4C17
SPLASH splash10-0a4i-3938000000-a8843e3855cea058c1a4
Source of Spectrum A1-13-3466/SMS15-10
Wiley ID 1753389