![(E)-{9-(4-Methylbenzylidene)-3-(3-phenyl-propyl)-3-azabicyclo[3.3.1]nonan-1-yl}methyl 2-(3-Methyl-2,5-dioxopyrrolidin-1-yl)benzoate](/api/spectrum/BAFrguy6MXt/structure.png?h=300&w=458 "(E)-{9-(4-Methylbenzylidene)-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 | 7l5dArf4cRw |
|---|---|
| InChI | InChI=1S/C38H42N2O4/c1-27-16-18-30(19-17-27)23-33-31-13-8-20-38(33,25-39(24-31)21-9-12-29-10-4-3-5-11-29)26-44-37(43)32-14-6-7-15-34(32)40-35(41)22-28(2)36(40)42/h3-7,10-11,14-19,23,28,31H,8-9,12-13,20-22,24-26H2,1-2H3/b33-23+/t28?,31-,38+/m1/s1 |
| InChIKey | JAWIVHCYWCKOGZ-ROOXBFBTSA-N |
| Mol Weight | 590.8 g/mol |
| Molecular Formula | C38H42N2O4 |
| Exact Mass | 590.314458 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BAFrguy6MXt |
|---|---|
| Name | (E)-{9-(4-Methylbenzylidene)-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 | C38H42N2O4 |
| InChI | InChI=1S/C38H42N2O4/c1-27-16-18-30(19-17-27)23-33-31-13-8-20-38(33,25-39(24-31)21-9-12-29-10-4-3-5-11-29)26-44-37(43)32-14-6-7-15-34(32)40-35(41)22-28(2)36(40)42/h3-7,10-11,14-19,23,28,31H,8-9,12-13,20-22,24-26H2,1-2H3/b33-23+/t28?,31-,38+/m1/s1 |
| InChIKey | JAWIVHCYWCKOGZ-ROOXBFBTSA-N |
| Molecular Weight | 590.764 g/mol |
| SMILES | C1(N(C(C(C1)C)=O)c1c(C(OC[C@@]23\C(=C\c4ccc(cc4)C)[C@](CCC3)(CN(C2)CCCc2ccccc2)[H])=O)cccc1)=O |
| SPLASH | splash10-000l-5221910000-4259cdb64d6acab1e871 |
| Source of Spectrum | U1-2009-1955-4h |
| Wiley ID | 1662789 |