| SpectraBase Spectrum ID |
5GfD069kUgA |
| Name |
3-Azepan-1-yl-1-(3-fluoro-4-methoxy-phenyl)-2-phenyl-propan-1-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
357.210407307 u |
| Formula |
C22H28FNO2 |
| InChI |
InChI=1S/C22H28FNO2/c1-26-21-12-11-18(15-20(21)23)22(25)19(17-9-5-4-6-10-17)16-24-13-7-2-3-8-14-24/h4-6,9-12,15,19,22,25H,2-3,7-8,13-14,16H2,1H3 |
| InChIKey |
DUCPMFSDYMOYQG-UHFFFAOYSA-N |
| Molecular Weight |
357.469 g/mol |
| SMILES |
C(C(C1=CC(F)=C(C=C1)OC)O)(CN1CCCCCC1)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922808 |
