![(E)-{9-(benzylidene)-3-(3-pheny-lpropyl)-3-azabicyclo[3.3.1]nonan-1-yl}methyl 2-(3-Methyl-2,5-dioxopyrrolidin-1-yl)benzoate](/api/spectrum/EwV1Ocr9i6Z/structure.png?h=300&w=458 "(E)-{9-(benzylidene)-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 | 3K6KlAojPtO |
|---|---|
| InChI | InChI=1S/C37H40N2O4/c1-27-22-34(40)39(35(27)41)33-19-9-8-18-31(33)36(42)43-26-37-20-10-17-30(32(37)23-29-14-6-3-7-15-29)24-38(25-37)21-11-16-28-12-4-2-5-13-28/h2-9,12-15,18-19,23,27,30H,10-11,16-17,20-22,24-26H2,1H3/b32-23+/t27?,30-,37+/m1/s1 |
| InChIKey | PSMBIMMXAAZWFE-GLLKAUANSA-N |
| Mol Weight | 576.7 g/mol |
| Molecular Formula | C37H40N2O4 |
| Exact Mass | 576.298808 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EwV1Ocr9i6Z |
|---|---|
| Name | (E)-{9-(benzylidene)-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 | C37H40N2O4 |
| InChI | InChI=1S/C37H40N2O4/c1-27-22-34(40)39(35(27)41)33-19-9-8-18-31(33)36(42)43-26-37-20-10-17-30(32(37)23-29-14-6-3-7-15-29)24-38(25-37)21-11-16-28-12-4-2-5-13-28/h2-9,12-15,18-19,23,27,30H,10-11,16-17,20-22,24-26H2,1H3/b32-23+/t27?,30-,37+/m1/s1 |
| InChIKey | PSMBIMMXAAZWFE-GLLKAUANSA-N |
| Molecular Weight | 576.737 g/mol |
| SMILES | C1(N(C(C(C1)C)=O)c1c(C(OC[C@@]23\C(=C\c4ccccc4)[C@](CCC3)(CN(C2)CCCc2ccccc2)[H])=O)cccc1)=O |
| SPLASH | splash10-014i-4191100000-f2f7c8c5a579cfea535e |
| Source of Spectrum | U1-2009-1953-4a |
| Wiley ID | 1662792 |