![(E)-{9-(4-methoxybenzylidene)-3-(3-phenyl-propyl)-3-azabicyclo[3.3.1]nonan-1-yl}methanol](/api/spectrum/C6Razv3asAX/structure.png?h=300&w=458 "(E)-{9-(4-methoxybenzylidene)-3-(3-phenyl-propyl)-3-azabicyclo[3.3.1]nonan-1-yl}methanol")
| SpectraBase Compound ID | 8BJOqldpCO8 |
|---|---|
| InChI | InChI=1S/C26H33NO2/c1-29-24-13-11-22(12-14-24)17-25-23-10-5-15-26(25,20-28)19-27(18-23)16-6-9-21-7-3-2-4-8-21/h2-4,7-8,11-14,17,23,28H,5-6,9-10,15-16,18-20H2,1H3/b25-17+/t23-,26+/m1/s1 |
| InChIKey | AFVGCPVIVHSZBU-MJZXQPQCSA-N |
| Mol Weight | 391.6 g/mol |
| Molecular Formula | C26H33NO2 |
| Exact Mass | 391.251129 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | C6Razv3asAX |
|---|---|
| Name | (E)-{9-(4-Methoxybenzylidene)-3-(3-phenyl-propyl)-3-azabicyclo[3.3.1]nonan-1-yl}methanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 391.251129305 u |
| Formula | C26H33NO2 |
| InChI | InChI=1S/C26H33NO2/c1-29-24-13-11-22(12-14-24)17-25-23-10-5-15-26(25,20-28)19-27(18-23)16-6-9-21-7-3-2-4-8-21/h2-4,7-8,11-14,17,23,28H,5-6,9-10,15-16,18-20H2,1H3/b25-17+/t23-,26+/m1/s1 |
| InChIKey | AFVGCPVIVHSZBU-MJZXQPQCSA-N |
| Molecular Weight | 391.555 g/mol |
| SMILES | [C@@]12(\C([C@@](CN(C2)CCCC=2C=CC=CC2)(CCC1)[H])=C\C1=CC=C(C=C1)OC)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.86631 |