| SpectraBase Spectrum ID |
EitAA9PLQr6 |
| Name |
2-(1-Azepino)-2',4'-dimethoxyacetophenone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
277.167793602 u |
| Formula |
C16H23NO3 |
| InChI |
InChI=1S/C16H23NO3/c1-19-13-7-8-14(16(11-13)20-2)15(18)12-17-9-5-3-4-6-10-17/h7-8,11H,3-6,9-10,12H2,1-2H3 |
| InChIKey |
ASXOUUHEMHVDMD-UHFFFAOYSA-N |
| SMILES |
C=1(C(=CC(=CC1)OC)OC)C(CN1CCCCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.821813 |
