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iron(II) 2-((phenylthio)methyl-d)cyclopenta-2,4-dien-1-ide cyclopenta-2,4-dien-1-ide
SpectraBase Compound ID 9SK78lb6vxS
InChI InChI=1S/C12H11S.C5H5.Fe/c1-2-8-12(9-3-1)13-10-11-6-4-5-7-11;1-2-4-5-3-1;/h1-9H,10H2;1-5H;/q2*-1;+2/i10D;;
InChIKey QNXCKKQFOQCUOV-OPKAZUSRSA-N
Mol Weight 309.23 g/mol
Molecular Formula C17H15DFeS
Exact Mass 309.038484 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9VL8ody58m4
Name iron(II) 2-((phenylthio)methyl-d)cyclopenta-2,4-dien-1-ide cyclopenta-2,4-dien-1-ide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15DFeS
InChI InChI=1S/C12H11S.C5H5.Fe/c1-2-8-12(9-3-1)13-10-11-6-4-5-7-11;1-2-4-5-3-1;/h1-9H,10H2;1-5H;/q2*-1;+2/i10D;;
InChIKey QNXCKKQFOQCUOV-OPKAZUSRSA-N
Literature Reference DOI 10.1002/prac.19843260517
Molecular Weight 309.226 g/mol
SMILES [Fe+2].c1c[cH-]cc1.c1c[cH-]c(C(Sc2ccccc2)[D])c1
SPLASH splash10-0udi-1492000000-6fb104a06a9f2e8cbe40
Source of Spectrum JF-326-839-1a
Wiley ID 1791392