| SpectraBase Spectrum ID |
5TKSLZjeGZS |
| Name |
4-(Benzo[D][1,3]dioxol-5-ylmethyl)-N-benzyl-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 |
430.152871811 u |
| Formula |
C25H22N2O5 |
| InChI |
InChI=1S/C25H22N2O5/c28-23-15-30-20-9-5-4-8-19(20)24(25(29)26-13-17-6-2-1-3-7-17)27(23)14-18-10-11-21-22(12-18)32-16-31-21/h1-12,24H,13-16H2,(H,26,29) |
| InChIKey |
XVYYRBYRUNAZSG-UHFFFAOYSA-N |
| Molecular Weight |
430.460 g/mol |
| SMILES |
C1OC=2C(C(N(C1=O)CC1=CC=C3OCOC3=C1)C(=O)NCC1=CC=CC=C1)=CC=CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963543 |
![4-(Benzo[D][1,3]dioxol-5-ylmethyl)-N-benzyl-3-oxo-2,3,4,5-tetrahydrobenzo[F][1,4]oxazepine-5-carboxamide](/api/spectrum/5TKSLZjeGZS/structure.png?h=300&w=458 "4-(Benzo[D][1,3]dioxol-5-ylmethyl)-N-benzyl-3-oxo-2,3,4,5-tetrahydrobenzo[F][1,4]oxazepine-5-carboxamide")
