| SpectraBase Spectrum ID |
1PeoRKnGEN3 |
| Name |
3,4,5-Trimethoxy-N-(2-oxo-1-pentylazepan-3-yl)benzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
392.231122133 u |
| Formula |
C21H32N2O5 |
| InChI |
InChI=1S/C21H32N2O5/c1-5-6-8-11-23-12-9-7-10-16(21(23)25)22-20(24)15-13-17(26-2)19(28-4)18(14-15)27-3/h13-14,16H,5-12H2,1-4H3,(H,22,24) |
| InChIKey |
CAAAGYKMOLITPN-UHFFFAOYSA-N |
| Molecular Weight |
392.496 g/mol |
| SMILES |
C(C1=CC(=C(C(=C1)OC)OC)OC)(=O)NC1C(N(CCCC1)CCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910524 |
