| SpectraBase Spectrum ID |
Ah4XNwhyIXz |
| Name |
N-(2,3-Dihydrobenzo[B][1,4]dioxin-6-yl)-4-(2-methoxyethyl)-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 |
398.147786430 u |
| Formula |
C21H22N2O6 |
| InChI |
InChI=1S/C21H22N2O6/c1-26-9-8-23-19(24)13-29-16-5-3-2-4-15(16)20(23)21(25)22-14-6-7-17-18(12-14)28-11-10-27-17/h2-7,12,20H,8-11,13H2,1H3,(H,22,25) |
| InChIKey |
DCMPLZBLWUSKMC-UHFFFAOYSA-N |
| Molecular Weight |
398.415 g/mol |
| SMILES |
C1OC=2C(C(N(C1=O)CCOC)C(=O)NC=1C=CC=3OCCOC3C1)=CC=CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945982 |
![N-(2,3-Dihydrobenzo[B][1,4]dioxin-6-yl)-4-(2-methoxyethyl)-3-oxo-2,3,4,5-tetrahydrobenzo[F][1,4]oxazepine-5-carboxamide](/api/spectrum/Ah4XNwhyIXz/structure.png?h=300&w=458 "N-(2,3-Dihydrobenzo[B][1,4]dioxin-6-yl)-4-(2-methoxyethyl)-3-oxo-2,3,4,5-tetrahydrobenzo[F][1,4]oxazepine-5-carboxamide")
