| SpectraBase Spectrum ID |
3ae39jSwbpj |
| Name |
4-(Benzo[D][1,3]dioxol-5-ylmethyl)-N-(2,3-dihydrobenzo[B][1,4]dioxin-6-yl)-3-oxo-2,3,4,5-tetrahydrobenzo[F][1,4]oxazepine-5-carboxamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
474.142701049 u |
| Formula |
C26H22N2O7 |
| InChI |
InChI=1S/C26H22N2O7/c29-24-14-33-19-4-2-1-3-18(19)25(28(24)13-16-5-7-21-22(11-16)35-15-34-21)26(30)27-17-6-8-20-23(12-17)32-10-9-31-20/h1-8,11-12,25H,9-10,13-15H2,(H,27,30) |
| InChIKey |
HAUOAIXKLXFZRG-UHFFFAOYSA-N |
| Molecular Weight |
474.469 g/mol |
| SMILES |
C1OC=2C(C(N(C1=O)CC1=CC=C3OCOC3=C1)C(=O)NC=1C=CC=3OCCOC3C1)=CC=CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93646 |
![4-(Benzo[D][1,3]dioxol-5-ylmethyl)-N-(2,3-dihydrobenzo[B][1,4]dioxin-6-yl)-3-oxo-2,3,4,5-tetrahydrobenzo[F][1,4]oxazepine-5-carboxamide](/api/spectrum/3ae39jSwbpj/structure.png?h=300&w=458 "4-(Benzo[D][1,3]dioxol-5-ylmethyl)-N-(2,3-dihydrobenzo[B][1,4]dioxin-6-yl)-3-oxo-2,3,4,5-tetrahydrobenzo[F][1,4]oxazepine-5-carboxamide")
