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Pentacarbonyl[(1R,2S,5R)-(-)-8-phenylmenthyloxybenzylidene]chromium(0)
SpectraBase Compound ID LM0OWxU41OJ
InChI InChI=1S/C23H28O.5CO.Cr/c1-18-14-15-21(23(2,3)20-12-8-5-9-13-20)22(16-18)24-17-19-10-6-4-7-11-19;5*1-2;/h4-13,18,21-22H,14-16H2,1-3H3;;;;;;/t18-,21-,22-;;;;;;/m1....../s1
InChIKey SFLOKBGSCSNFPG-MXFBPKMESA-N
Mol Weight 512.52 g/mol
Molecular Formula C28H28CrO6
Exact Mass 512.129094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9b833B1KFfA
Name Pentacarbonyl[(1R,2S,5R)-(-)-8-phenylmenthyloxybenzylidene]chromium(0)
Comments Computed using HOSE algorithm
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Exact Mass 512.129093616 u
Formula C28H28CrO6
InChI InChI=1S/C23H28O.5CO.Cr/c1-18-14-15-21(23(2,3)20-12-8-5-9-13-20)22(16-18)24-17-19-10-6-4-7-11-19;5*1-2;/h4-13,18,21-22H,14-16H2,1-3H3;;;;;;/t18-,21-,22-;;;;;;/m1....../s1
InChIKey SFLOKBGSCSNFPG-MXFBPKMESA-N
Molecular Weight 512.522 g/mol
SMILES C(=[Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O])(O[C@]1([C@](C(C2=CC=CC=C2)(C)C)(CC[C@](C1)(C)[H])[H])[H])C1=CC=CC=C1