![(E)-{9-(2-Chlorobenzylidene)-3-(3-phenyl-propyl)-3-azabicyclo[3.3.1]nonan-1-yl}methyl 2-(3-Methyl-2,5-dioxopyrrolidin-1-yl)benzoate](/api/spectrum/1XEdZ4vNsEY/structure.png?h=300&w=458 "(E)-{9-(2-Chlorobenzylidene)-3-(3-phenyl-propyl)-3-azabicyclo[3.3.1]nonan-1-yl}methyl 2-(3-Methyl-2,5-dioxopyrrolidin-1-yl)benzoate")
| SpectraBase Compound ID | Bviin2MJjC1 |
|---|---|
| InChI | InChI=1S/C37H39ClN2O4/c1-26-21-34(41)40(35(26)42)33-18-8-6-16-30(33)36(43)44-25-37-19-9-15-29(31(37)22-28-14-5-7-17-32(28)38)23-39(24-37)20-10-13-27-11-3-2-4-12-27/h2-8,11-12,14,16-18,22,26,29H,9-10,13,15,19-21,23-25H2,1H3/b31-22+/t26?,29-,37+/m1/s1 |
| InChIKey | DDWGLBGVFNBTDB-ZIWGHFQRSA-N |
| Mol Weight | 611.2 g/mol |
| Molecular Formula | C37H39ClN2O4 |
| Exact Mass | 610.259835 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1XEdZ4vNsEY |
|---|---|
| Name | (E)-{9-(2-Chlorobenzylidene)-3-(3-phenyl-propyl)-3-azabicyclo[3.3.1]nonan-1-yl}methyl 2-(3-Methyl-2,5-dioxopyrrolidin-1-yl)benzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H39ClN2O4 |
| InChI | InChI=1S/C37H39ClN2O4/c1-26-21-34(41)40(35(26)42)33-18-8-6-16-30(33)36(43)44-25-37-19-9-15-29(31(37)22-28-14-5-7-17-32(28)38)23-39(24-37)20-10-13-27-11-3-2-4-12-27/h2-8,11-12,14,16-18,22,26,29H,9-10,13,15,19-21,23-25H2,1H3/b31-22+/t26?,29-,37+/m1/s1 |
| InChIKey | DDWGLBGVFNBTDB-ZIWGHFQRSA-N |
| Molecular Weight | 611.182 g/mol |
| SMILES | C1(N(C(C(C1)C)=O)c1c(C(OC[C@@]23\C(=C\c4c(Cl)cccc4)[C@](CCC3)(CN(C2)CCCc2ccccc2)[H])=O)cccc1)=O |
| SPLASH | splash10-052f-9021051000-8ffda757e439f5aa3229 |
| Source of Spectrum | U1-2009-1953-4d |
| Wiley ID | 1710683 |