| SpectraBase Compound ID | LyX1PReKNpH |
|---|---|
| InChI | InChI=1S/C28H38N4O2/c33-27-23-26(25-13-5-2-6-14-25)30-19-9-18-29-17-7-8-21-32(22-10-20-31-27)28(34)16-15-24-11-3-1-4-12-24/h1-6,11-16,26,29-30H,7-10,17-23H2,(H,31,33)/b16-15+/t26-/m0/s1 |
| InChIKey | ASBBGSDFHKCHMP-OXVFXORMSA-N |
| Mol Weight | 462.6 g/mol |
| Molecular Formula | C28H38N4O2 |
| Exact Mass | 462.299476 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3sfDBCP3yK |
|---|---|
| Name | 7',8'-trans-Verbacine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H38N4O2 |
| InChI | InChI=1S/C28H38N4O2/c33-27-23-26(25-13-5-2-6-14-25)30-19-9-18-29-17-7-8-21-32(22-10-20-31-27)28(34)16-15-24-11-3-1-4-12-24/h1-6,11-16,26,29-30H,7-10,17-23H2,(H,31,33)/b16-15+/t26-/m0/s1 |
| InChIKey | ASBBGSDFHKCHMP-OXVFXORMSA-N |
| Molecular Weight | 462.638 g/mol |
| SMILES | N1CCCN(CCCCNCCCN[C@@](CC1=O)(c1ccccc1)[H])C(\C=C\c1ccccc1)=O |
| SPLASH | splash10-001i-6941200000-2ef3e75ba682f3f4c412 |
| Source of Spectrum | AT-36-620-1 |
| Wiley ID | 853059 |