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Pentacarbonyl-{N-[3-ethoxy-1-(2'-pyridylthio)-4,5,6,7-tetrahydro-3aH-indene]}-chromium
SpectraBase Compound ID H1pvigCoifu
InChI InChI=1S/C16H19NOS.5CO.Cr/c1-2-18-14-11-15(13-8-4-3-7-12(13)14)19-16-9-5-6-10-17-16;5*1-2;/h5-6,9-12H,2-4,7-8H2,1H3;;;;;;/q;;;;;;+1/t12-;;;;;;/m1....../s1
InChIKey PZGJPYKPHYOPRL-ANFOYOKBSA-N
Mol Weight 465.44 g/mol
Molecular Formula C21H19CrNO6S
Exact Mass 465.033814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JiAo0Wf6jmu
Name Pentacarbonyl-{N-[3-ethoxy-1-(2'-pyridylthio)-4,5,6,7-tetrahydro-3aH-indene]}-chromium
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Formula C21H19CrNO6S
InChI InChI=1S/C16H19NOS.5CO.Cr/c1-2-18-14-11-15(13-8-4-3-7-12(13)14)19-16-9-5-6-10-17-16;5*1-2;/h5-6,9-12H,2-4,7-8H2,1H3;;;;;;/q;;;;;;+1/t12-;;;;;;/m1....../s1
InChIKey PZGJPYKPHYOPRL-ANFOYOKBSA-N
Molecular Weight 465.440 g/mol
SMILES c1([n+]([Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O])cccc1)SC=1C=C(OCC)[C@]2(C1CCCC2)[H]
SPLASH splash10-00e9-0097000000-f454957b828f4f1344b7
Source of Spectrum K1-2002-365-3
Synonyms (3aR*)-Pentacarbonyl[3-ethoxy-1-(2-pyridylthio)-4,5,6,7-tetrahydro-3aH-indene-N]chromium
Wiley ID 1521911