| SpectraBase Spectrum ID |
AWn0SFQLxiV |
| Name |
(E,E)-1-[(E)-5-(7-{6-[5-(Piperidin-1-yl)-5-oxopent-3-enyl]-1,3-benzodioxol-4-yl}-1,3-benzodioxol-5-yl)-1-oxopenta-2,4-dienyl]piperidine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
570.272986946 u |
| Formula |
C34H38N2O6 |
| InChI |
InChI=1S/C34H38N2O6/c37-31(35-15-7-1-8-16-35)13-5-3-11-25-19-27(33-29(21-25)39-23-41-33)28-20-26(22-30-34(28)42-24-40-30)12-4-6-14-32(38)36-17-9-2-10-18-36/h3,5-6,11,13-14,19-22H,1-2,4,7-10,12,15-18,23-24H2/b11-3+,13-5+,14-6+ |
| InChIKey |
NPXVYHIXYLWTHJ-YJVVLNKFSA-N |
| Molecular Weight |
570.686 g/mol |
| SMILES |
C1N(CCCC1)C(\C=C\C=C\C=1C=C2OCOC2=C(C1)C=1C=C(C=C2C1OCO2)CC\C=C\C(=O)N1CCCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860845 |
![(E,E)-1-[(E)-5-(7-{6-[5-(Piperidin-1-yl)-5-oxopent-3-enyl]-1,3-benzodioxol-4-yl}-1,3-benzodioxol-5-yl)-1-oxopenta-2,4-dienyl]piperidine](/api/spectrum/AWn0SFQLxiV/structure.png?h=300&w=458 "(E,E)-1-[(E)-5-(7-{6-[5-(Piperidin-1-yl)-5-oxopent-3-enyl]-1,3-benzodioxol-4-yl}-1,3-benzodioxol-5-yl)-1-oxopenta-2,4-dienyl]piperidine")
