![Ethyl (E)-9-(2-Chlorobenzylidene)-3-(3-phenylpropyl)-3-azabicyclo[3.3.1]nonane-1-carboxylate](/api/spectrum/5S8XjN6iji/structure.png?h=300&w=458 "Ethyl (E)-9-(2-Chlorobenzylidene)-3-(3-phenylpropyl)-3-azabicyclo[3.3.1]nonane-1-carboxylate")
| SpectraBase Compound ID | GlTxN30utMG |
|---|---|
| InChI | InChI=1S/C27H32ClNO2/c1-2-31-26(30)27-16-8-14-23(24(27)18-22-13-6-7-15-25(22)28)19-29(20-27)17-9-12-21-10-4-3-5-11-21/h3-7,10-11,13,15,18,23H,2,8-9,12,14,16-17,19-20H2,1H3/b24-18+/t23-,27-/m1/s1 |
| InChIKey | NVBFPSPASCQBJC-WARYPIAISA-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 | 5S8XjN6iji |
|---|---|
| Name | Ethyl (E)-9-(2-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)27-16-8-14-23(24(27)18-22-13-6-7-15-25(22)28)19-29(20-27)17-9-12-21-10-4-3-5-11-21/h3-7,10-11,13,15,18,23H,2,8-9,12,14,16-17,19-20H2,1H3/b24-18+/t23-,27-/m1/s1 |
| InChIKey | NVBFPSPASCQBJC-WARYPIAISA-N |
| Molecular Weight | 438.011 g/mol |
| SMILES | [C@@]12(\C(=C\c3c(Cl)cccc3)[C@](CCC1)(CN(C2)CCCc1ccccc1)[H])C(=O)OCC |
| SPLASH | splash10-001i-2009200000-a77d646196cdec5e6085 |
| Source of Spectrum | U1-2009-1949-7d |
| Wiley ID | 1662805 |