![(E)-{9-(3-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/H3E7Ci3PwiX/structure.png?h=300&w=458 "(E)-{9-(3-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 | A9VBuiKVD3Y |
|---|---|
| InChI | InChI=1S/C38H42N2O4/c1-27-11-8-14-30(21-27)23-33-31-16-9-19-38(33,25-39(24-31)20-10-15-29-12-4-3-5-13-29)26-44-37(43)32-17-6-7-18-34(32)40-35(41)22-28(2)36(40)42/h3-8,11-14,17-18,21,23,28,31H,9-10,15-16,19-20,22,24-26H2,1-2H3/b33-23+/t28?,31-,38+/m1/s1 |
| InChIKey | CWUSSFWVDTTXNL-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 | H3E7Ci3PwiX |
|---|---|
| Name | (E)-{9-(3-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/c1-27-11-8-14-30(21-27)23-33-31-16-9-19-38(33,25-39(24-31)20-10-15-29-12-4-3-5-13-29)26-44-37(43)32-17-6-7-18-34(32)40-35(41)22-28(2)36(40)42/h3-8,11-14,17-18,21,23,28,31H,9-10,15-16,19-20,22,24-26H2,1-2H3/b33-23+/t28?,31-,38+/m1/s1 |
| InChIKey | CWUSSFWVDTTXNL-ROOXBFBTSA-N |
| Molecular Weight | 590.764 g/mol |
| SMILES | C1(N(C(C(C1)C)=O)c1c(C(OC[C@@]23\C(=C\c4cc(C)ccc4)[C@](CCC3)(CN(C2)CCCc2ccccc2)[H])=O)cccc1)=O |
| SPLASH | splash10-014i-4090400000-69b066624701e63dba00 |
| Source of Spectrum | U1-2009-1955-4g |
| Wiley ID | 1662790 |