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Pentacarbonyl[(3S,4R)-4-[N-(diphenylmethylidene)amino]-4-ethoxycarbonyl-3-(3-furyl)-1-[(1R,2S,5R)-8-phenylmenthyloxy]butylidene]chromium

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Pentacarbonyl[(3S,4R)-4-[N-(diphenylmethylidene)amino]-4-ethoxycarbonyl-3-(3-furyl)-1-[(1R,2S,5R)-8-phenylmenthyloxy]butylidene]chromium
SpectraBase Compound ID L77qXySTblt
InChI InChI=1S/C40H45NO4.5CO.Cr/c1-5-44-39(42)38(41-37(30-15-9-6-10-16-30)31-17-11-7-12-18-31)34(32-23-25-43-28-32)24-26-45-36-27-29(2)21-22-35(36)40(3,4)33-19-13-8-14-20-33;5*1-2;/h6-20,23,25,28-29,34-36,38H,5,21-22,24,27H2,1-4H3;;;;;;/t29-,34+,35-,36-,38-;;;;;;/m1....../s1
InChIKey XKLKDTWDCDVDRI-FOMNYWJXSA-N
Mol Weight 795.8 g/mol
Molecular Formula C45H45CrNO9
Exact Mass 795.249937 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IeY2P9rHOH
Name Pentacarbonyl[(3S,4R)-4-[N-(diphenylmethylidene)amino]-4-ethoxycarbonyl-3-(3-furyl)-1-[(1R,2S,5R)-8-phenylmenthyloxy]butylidene]chromium
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 795.249937024 u
Formula C45H45CrNO9
InChI InChI=1S/C40H45NO4.5CO.Cr/c1-5-44-39(42)38(41-37(30-15-9-6-10-16-30)31-17-11-7-12-18-31)34(32-23-25-43-28-32)24-26-45-36-27-29(2)21-22-35(36)40(3,4)33-19-13-8-14-20-33;5*1-2;/h6-20,23,25,28-29,34-36,38H,5,21-22,24,27H2,1-4H3;;;;;;/t29-,34+,35-,36-,38-;;;;;;/m1....../s1
InChIKey XKLKDTWDCDVDRI-FOMNYWJXSA-N
Molecular Weight 795.849 g/mol
SMILES C(=[Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O])(C[C@]([C@@](N=C(C1=CC=CC=C1)C=1C=CC=CC1)(C(=O)OCC)[H])(C1=COC=C1)[H])O[C@]1([C@](C(C=2C=CC=CC2)(C)C)(CC[C@](C1)(C)[H])[H])[H]