| SpectraBase Spectrum ID |
G3b1XQXXIgr |
| Name |
2-Hexamethyleneimine-4'-methoxyacetophenone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
247.157228918 u |
| Formula |
C15H21NO2 |
| InChI |
InChI=1S/C15H21NO2/c1-18-14-8-6-13(7-9-14)15(17)12-16-10-4-2-3-5-11-16/h6-9H,2-5,10-12H2,1H3 |
| InChIKey |
WBWHTDUNPFNYIH-UHFFFAOYSA-N |
| Molecular Weight |
247.338 g/mol |
| SMILES |
C=1(C(CN2CCCCCC2)=O)C=CC(=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895816 |
