![(E)-{9-(3-Methoxybenzylidene)-3-(3-pheny-lpropyl)-3-azabicyclo[3.3.1]nonan-1-yl}methyl 2-(3-Methyl-2,5-dioxopyrrolidin-1-yl)benzoate](/api/spectrum/7kEhzf7SMXg/structure.png?h=300&w=458 "(E)-{9-(3-Methoxybenzylidene)-3-(3-pheny-lpropyl)-3-azabicyclo[3.3.1]nonan-1-yl}methyl 2-(3-Methyl-2,5-dioxopyrrolidin-1-yl)benzoate")
| SpectraBase Compound ID | CgYbHsYFCWa |
|---|---|
| InChI | InChI=1S/C38H42N2O5/c1-27-21-35(41)40(36(27)42)34-18-7-6-17-32(34)37(43)45-26-38-19-9-15-30(33(38)23-29-13-8-16-31(22-29)44-2)24-39(25-38)20-10-14-28-11-4-3-5-12-28/h3-8,11-13,16-18,22-23,27,30H,9-10,14-15,19-21,24-26H2,1-2H3/b33-23+/t27?,30-,38+/m1/s1 |
| InChIKey | CZMBRQXTWUNPRT-XIFGZJAQSA-N |
| Mol Weight | 606.8 g/mol |
| Molecular Formula | C38H42N2O5 |
| Exact Mass | 606.309372 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7kEhzf7SMXg |
|---|---|
| Name | (E)-{9-(3-Methoxybenzylidene)-3-(3-pheny-lpropyl)-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 | C38H42N2O5 |
| InChI | InChI=1S/C38H42N2O5/c1-27-21-35(41)40(36(27)42)34-18-7-6-17-32(34)37(43)45-26-38-19-9-15-30(33(38)23-29-13-8-16-31(22-29)44-2)24-39(25-38)20-10-14-28-11-4-3-5-12-28/h3-8,11-13,16-18,22-23,27,30H,9-10,14-15,19-21,24-26H2,1-2H3/b33-23+/t27?,30-,38+/m1/s1 |
| InChIKey | CZMBRQXTWUNPRT-XIFGZJAQSA-N |
| Molecular Weight | 606.763 g/mol |
| SMILES | C1(N(C(C(C1)C)=O)c1c(C(OC[C@@]23\C(=C\c4cc(OC)ccc4)[C@](CCC3)(CN(C2)CCCc2ccccc2)[H])=O)cccc1)=O |
| SPLASH | splash10-00kf-9320010000-01a9e2031805cad708e7 |
| Source of Spectrum | U1-2009-1955-4f |
| Wiley ID | 1662791 |