![Ethyl (E)-9-(3-Chlorobenzylidene)-3-(3-phenylpropyl)-3-azabicyclo[3.3.1]nonane-1-carboxylate](/api/spectrum/LpZQ4gGsqzY/structure.png?h=300&w=458 "Ethyl (E)-9-(3-Chlorobenzylidene)-3-(3-phenylpropyl)-3-azabicyclo[3.3.1]nonane-1-carboxylate")
| SpectraBase Compound ID | Gjoakw1Hn1W |
|---|---|
| InChI | InChI=1S/C27H32ClNO2/c1-2-31-26(30)27-15-7-13-23(25(27)18-22-11-6-14-24(28)17-22)19-29(20-27)16-8-12-21-9-4-3-5-10-21/h3-6,9-11,14,17-18,23H,2,7-8,12-13,15-16,19-20H2,1H3/b25-18+/t23-,27-/m1/s1 |
| InChIKey | LJRSOASCUFIEQV-ZGCDHEJCSA-N |
| Mol Weight | 438.0 g/mol |
| Molecular Formula | C27H32ClNO2 |
| Exact Mass | 437.212157 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LpZQ4gGsqzY |
|---|---|
| Name | Ethyl (E)-9-(3-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)27-15-7-13-23(25(27)18-22-11-6-14-24(28)17-22)19-29(20-27)16-8-12-21-9-4-3-5-10-21/h3-6,9-11,14,17-18,23H,2,7-8,12-13,15-16,19-20H2,1H3/b25-18+/t23-,27-/m1/s1 |
| InChIKey | LJRSOASCUFIEQV-ZGCDHEJCSA-N |
| Molecular Weight | 438.011 g/mol |
| SMILES | [C@@]12(\C(=C\c3cc(Cl)ccc3)[C@](CCC1)(CN(C2)CCCc1ccccc1)[H])C(=O)OCC |
| SPLASH | splash10-001i-2009200000-a77d646196cdec5e6085 |
| Source of Spectrum | U1-2009-1949-7e |
| Wiley ID | 1662804 |