| SpectraBase Spectrum ID |
6sajlveUKcs |
| Name |
N-(1-[4-(3-Fluoropropoxy)-3,5-dimethoxyphenyl]propan-2-yl)-3-methoxybenzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
405.195151164 u |
| Formula |
C22H28FNO5 |
| InChI |
InChI=1S/C22H28FNO5/c1-15(24-22(25)17-7-5-8-18(14-17)26-2)11-16-12-19(27-3)21(20(13-16)28-4)29-10-6-9-23/h5,7-8,12-15H,6,9-11H2,1-4H3,(H,24,25) |
| InChIKey |
JLZVPIIQLPLTKS-UHFFFAOYSA-N |
| Molecular Weight |
405.466 g/mol |
| SMILES |
C1(=C(C=C(C=C1OC)CC(NC(C=1C=C(C=CC1)OC)=O)C)OC)OCCCF |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948933 |