| SpectraBase Compound ID | 3C2k5WZLeHP |
|---|---|
| InChI | InChI=1S/C22H24N2O6/c1-28-18(26)22(27)17(25)19-5-2-9-24-10-8-20(16(19)24)12-3-4-13-15(30-11-29-13)14(12)23-21(20,22)7-6-19/h3-4,16,23,27H,2,5-11H2,1H3/t16-,19-,20+,21-,22+/m0/s1 |
| InChIKey | JVVDRTHBTYJZSQ-GSNCRSPSSA-N |
| Mol Weight | 412.44 g/mol |
| Molecular Formula | C22H24N2O6 |
| Exact Mass | 412.163436 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4I9gMMpYEwU |
|---|---|
| Name | Kopsifinone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H24N2O6 |
| InChI | InChI=1S/C22H24N2O6/c1-28-18(26)22(27)17(25)19-5-2-9-24-10-8-20(16(19)24)12-3-4-13-15(30-11-29-13)14(12)23-21(20,22)7-6-19/h3-4,16,23,27H,2,5-11H2,1H3/t16-,19-,20+,21-,22+/m0/s1 |
| InChIKey | JVVDRTHBTYJZSQ-GSNCRSPSSA-N |
| Molecular Weight | 412.442 g/mol |
| SMILES | O[C@]1(C([C@]23CCCN4[C@@]2([C@@]2([C@]1(CC3)Nc1c3c(ccc21)OCO3)CC4)[H])=O)C(=O)OC |
| SPLASH | splash10-03xr-0539800000-38f9376d88151d3aead2 |
| Source of Spectrum | G4-71-57-7 |
| Wiley ID | 1695279 |