| SpectraBase Spectrum ID |
Tp1wmw6qNX |
| Name |
2-(3,4-Dimethoxy-phenyl)-7,8-dimethoxy-1,2-dihydro-benzo[D]azepine-3-carbaldehyde |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
369.157622840 u |
| Formula |
C21H23NO5 |
| InChI |
InChI=1S/C21H23NO5/c1-24-18-6-5-15(11-19(18)25-2)17-9-16-12-21(27-4)20(26-3)10-14(16)7-8-22(17)13-23/h5-8,10-13,17H,9H2,1-4H3 |
| InChIKey |
NLWFPNPUTKKANU-UHFFFAOYSA-N |
| Molecular Weight |
369.417 g/mol |
| SMILES |
C1(N(C=CC=2C=C(C(=CC2C1)OC)OC)C=O)C1=CC(OC)=C(C=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963124 |
![2-(3,4-Dimethoxy-phenyl)-7,8-dimethoxy-1,2-dihydro-benzo[d]azepine-3-carbaldehyde](/api/spectrum/Tp1wmw6qNX/structure.png?h=300&w=458 "2-(3,4-Dimethoxy-phenyl)-7,8-dimethoxy-1,2-dihydro-benzo[d]azepine-3-carbaldehyde")
