| SpectraBase Spectrum ID |
JsvwnNBSoJY |
| Name |
11-Benzoyl-3-methoxy-4A,5,8A,9,10,12-hexahydro-6(11H)-azepino[3,4,5-K,L]dibenzofuran-6-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
361.167793602 u |
| Formula |
C23H23NO3 |
| InChI |
InChI=1S/C23H23NO3/c1-26-19-8-7-17-15-24(14-16-5-3-2-4-6-16)12-11-23-10-9-18(25)13-20(23)27-22(19)21(17)23/h2-10,20H,11-15H2,1H3 |
| InChIKey |
LGRXDJXWFAEZHB-UHFFFAOYSA-N |
| Molecular Weight |
361.441 g/mol |
| SMILES |
C12CC(C=CC22C3=C(C=CC(=C3O1)OC)CN(CC2)CC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880161 |
![11-Benzoyl-3-methoxy-4A,5,8A,9,10,12-hexahydro-6(11H)-azepino[3,4,5-K,L]dibenzofuran-6-one](/api/spectrum/JsvwnNBSoJY/structure.png?h=300&w=458 "11-Benzoyl-3-methoxy-4A,5,8A,9,10,12-hexahydro-6(11H)-azepino[3,4,5-K,L]dibenzofuran-6-one")
