| SpectraBase Compound ID | JiKINMEeQiI |
|---|---|
| InChI | InChI=1S/C27H36N2O5/c1-6-8-14-28-16-20(11-7-2)24(33-5)27(4,17-28)18-34-26(32)21-12-9-10-13-22(21)29-23(30)15-19(3)25(29)31/h7,9-10,12-13,15,20,24H,2,6,8,11,14,16-18H2,1,3-5H3/t20-,24+,27+/m1/s1 |
| InChIKey | AOZIYZXXHWKTQC-MHLNXUHPSA-N |
| Mol Weight | 468.6 g/mol |
| Molecular Formula | C27H36N2O5 |
| Exact Mass | 468.262422 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ChZV6Mj15JL |
|---|---|
| Name | ((3S*,4S*,5R*)-1-Butyl-4-methoxy-3-methyl-5-allylpiperidin-3-yl)methyl 2-(3-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H36N2O5 |
| InChI | InChI=1S/C27H36N2O5/c1-6-8-14-28-16-20(11-7-2)24(33-5)27(4,17-28)18-34-26(32)21-12-9-10-13-22(21)29-23(30)15-19(3)25(29)31/h7,9-10,12-13,15,20,24H,2,6,8,11,14,16-18H2,1,3-5H3/t20-,24+,27+/m1/s1 |
| InChIKey | AOZIYZXXHWKTQC-MHLNXUHPSA-N |
| Molecular Weight | 468.594 g/mol |
| SMILES | C1(N(C(C(=C1)C)=O)c1c(C(OC[C@]2([C@]([C@](CC=C)(CN(C2)CCCC)[H])(OC)[H])C)=O)cccc1)=O |
| SPLASH | splash10-03di-0090300000-6e0da0876685891650f9 |
| Source of Spectrum | F-66-7190-9e |
| Wiley ID | 1683953 |