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Molybdenum, tetrakis(benzenemethanethiolato)di-2,4-cyclopentadien-1-yldinitrosyldi-
SpectraBase Compound ID 88t9TkW7BTF
InChI InChI=1S/4C7H8S.2C5H5.2Mo.2HNO/c4*8-6-7-4-2-1-3-5-7;2*1-2-4-5-3-1;;;2*1-2/h4*1-5,8H,6H2;2*1-5H;;;2*1H/q;;;;2*-5;;;;/p-4
InChIKey YSVALWBWFHDTLY-UHFFFAOYSA-J
Mol Weight 876.89 g/mol
Molecular Formula C38H40Mo2N2O2S4
Exact Mass 880.008071 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cih1ZtZo0f2
Name Molybdenum, tetrakis(benzenemethanethiolato)di-2,4-cyclopentadien-1-yldinitrosyldi-
Alternate Name(s) Bis(di(toluene-.alpha.-thiolato)(nitrosyl)-.pi.-cyclopentadienylmolybdenum) (structure?) Tetrakis(benzylsulfanide) bis(cyclopentane-1,2,3,4,5-pentaide) bis(oxidanimine) dimolybdenum
CAS Registry Number 55955-43-6
Comments Note: The molecular formula of the structure shown is C38H40Mo2N2O2S4 - which differs from the formula reported for the mass spectrum (C38H38Mo2N2O2S4)
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Formula C38H38Mo2N2O2S4
InChI InChI=1S/4C7H8S.2C5H5.2Mo.2HNO/c4*8-6-7-4-2-1-3-5-7;2*1-2-4-5-3-1;;;2*1-2/h4*1-5,8H,6H2;2*1-5H;;;2*1H/q;;;;2*-5;;;;/p-4
InChIKey YSVALWBWFHDTLY-UHFFFAOYSA-J
Molecular Weight 876.892 g/mol
SMILES C([S-])c1ccccc1.[Mo].[Mo].N=O.N=O.[CH-]1[CH-][CH-][CH-][CH-]1.[CH-]1[CH-][CH-][CH-][CH-]1.C([S-])c1ccccc1.C([S-])c1ccccc1.C([S-])c1ccccc1
SPLASH splash10-0002-0098200000-45dacf4e90e2c3fac90a
Source of Spectrum KA-71-1070-4
Wiley ID 1417887