| SpectraBase Spectrum ID |
CZDTDYekjjh |
| Name |
11-Acetonyl-8,9-dimethoxy-1,2,5,6-tetrahydropyrrolo[1,2-C][3]benzazepin-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
315.147058156 u |
| Formula |
C18H21NO4 |
| InChI |
InChI=1S/C18H21NO4/c1-11(20)8-14-13-10-17(23-3)16(22-2)9-12(13)6-7-19-15(14)4-5-18(19)21/h9-10H,4-8H2,1-3H3 |
| InChIKey |
YFONJCYHDUEOEE-UHFFFAOYSA-N |
| SMILES |
C1N2C(=C(C=3C=C(C(=CC3C1)OC)OC)CC(=O)C)CCC2=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971176 |
![11-Acetonyl-8,9-dimethoxy-1,2,5,6-tetrahydropyrrolo[1,2-C][3]benzazepin-3-one](/api/spectrum/CZDTDYekjjh/structure.png?h=300&w=458 "11-Acetonyl-8,9-dimethoxy-1,2,5,6-tetrahydropyrrolo[1,2-C][3]benzazepin-3-one")
