![Pentacarbonyl[(3S,4R)-4-[N-(diphenylmethylidene)amino]-4-ethoxycarbonyl-3-(3-furyl)-1-[(1R,2S,5R)-8-phenylmenthyloxy]butylidene]chromium](/api/spectrum/DguV5vyUdvl/structure.png?h=300&w=458 "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 |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DguV5vyUdvl |
|---|---|
| Name | Pentacarbonyl[(3S,4R)-4-[N-(diphenylmethylidene)amino]-4-ethoxycarbonyl-3-(3-furyl)-1-[(1R,2S,5R)-8-phenylmenthyloxy]butylidene]chromium |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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(c1ccccc1)c1ccccc1)(C(=O)OCC)[H])(c1cocc1)[H])O[C@]1([C@](C(c2ccccc2)(C)C)(CC[C@](C1)(C)[H])[H])[H] |
| SPLASH | splash10-06di-0950026000-dd932d825f9ed5895a87 |
| Source of Spectrum | J-64-6561-4 |
| Wiley ID | 1530977 |