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{P-[2,4,6-tri(t-Butyl)hydroxyphenyl-P-propynylphosphanediyl} {dicarbonyl)(cyclopentadienyl molybdenum
SpectraBase Compound ID 173zqYIVgDH
InChI InChI=1S/C21H32OP.C5H5.2CO.Mo/c1-11-12-23-18-15(20(5,6)7)13-14(19(2,3)4)17(22)16(18)21(8,9)10;1-2-4-5-3-1;2*1-2;/h1,13,22H,12H2,2-10H3;1-5H;;;/q-1;;;;+1
InChIKey VKAHTBJMWJJERP-UHFFFAOYSA-N
Mol Weight 548.5 g/mol
Molecular Formula C28H37MoO3P
Exact Mass 550.153436 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EQSa3d5xJX2
Name {P-[2,4,6-tri(t-Butyl)hydroxyphenyl-P-propynylphosphanediyl} {dicarbonyl)(cyclopentadienyl molybdenum
Alternate Name(s) 3-{[1,1-bis(hydroxymethyl)-1-molybdapentacyclo[2.2.0.0(1,3).0(1,5).0(2,6)]hexan-1-yl](prop-1-yn-1-yl)phosphanyl}-2,4,6-tri-tert-butylphenol {p-[2,4,6-tri(t-butyl)hydroxyphenyl-p-propynylphosphanediyl} {dicarbonyl)(cyclopentadienyl molybdenium
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Formula C28H37MoO3P
InChI InChI=1S/C21H32OP.C5H5.2CO.Mo/c1-11-12-23-18-15(20(5,6)7)13-14(19(2,3)4)17(22)16(18)21(8,9)10;1-2-4-5-3-1;2*1-2;/h1,13,22H,12H2,2-10H3;1-5H;;;/q-1;;;;+1
InChIKey VKAHTBJMWJJERP-UHFFFAOYSA-N
Molecular Weight 548.526 g/mol
SMILES Oc1c(c(P([Mo]2345([C@]6([C@@]5([C@@]4([C@@]2([C@@]36[H])[H])[H])[H])[H])(C#[O])C#[O])CC#C)c(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C
SPLASH splash10-0pb9-6090030000-56416e46e586b76b9e57
Source of Spectrum K-126-1079-3
Wiley ID 1405682