![Ethyl (E)-9-(4-Chlorobenzylidene)-3-(3-phenylpropyl)-3-azabicyclo[3.3.1]nonane-1-carboxylate](/api/spectrum/9IKjN63UWEr/structure.png?h=300&w=458 "Ethyl (E)-9-(4-Chlorobenzylidene)-3-(3-phenylpropyl)-3-azabicyclo[3.3.1]nonane-1-carboxylate")
| SpectraBase Compound ID | EOxkRxpeLwN |
|---|---|
| InChI | InChI=1S/C27H32ClNO2/c1-2-31-26(30)27-16-6-11-23(25(27)18-22-12-14-24(28)15-13-22)19-29(20-27)17-7-10-21-8-4-3-5-9-21/h3-5,8-9,12-15,18,23H,2,6-7,10-11,16-17,19-20H2,1H3/b25-18+/t23-,27-/m1/s1 |
| InChIKey | GFJIROIEKDUAJE-ZGCDHEJCSA-N |
| Mol Weight | 438.0 g/mol |
| Molecular Formula | C27H32ClNO2 |
| Exact Mass | 437.212157 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9IKjN63UWEr |
|---|---|
| Name | Ethyl (E)-9-(4-Chlorobenzylidene)-3-(3-phenylpropyl)-3-azabicyclo[3.3.1]nonane-1-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H32ClNO2 |
| InChI | InChI=1S/C27H32ClNO2/c1-2-31-26(30)27-16-6-11-23(25(27)18-22-12-14-24(28)15-13-22)19-29(20-27)17-7-10-21-8-4-3-5-9-21/h3-5,8-9,12-15,18,23H,2,6-7,10-11,16-17,19-20H2,1H3/b25-18+/t23-,27-/m1/s1 |
| InChIKey | GFJIROIEKDUAJE-ZGCDHEJCSA-N |
| Molecular Weight | 438.011 g/mol |
| SMILES | [C@@]12(\C(=C\c3ccc(cc3)Cl)[C@](CCC1)(CN(C2)CCCc1ccccc1)[H])C(=O)OCC |
| SPLASH | splash10-001i-2109200000-a606abd9e219d59843c9 |
| Source of Spectrum | U1-2009-1948-7b |
| Wiley ID | 1662807 |