| SpectraBase Spectrum ID |
8UpVoKuOoSt |
| Name |
4-(Benzo[D][1,3]dioxol-5-ylmethyl)-N-(2,6-dimethylphenyl)-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 |
444.168521876 u |
| Formula |
C26H24N2O5 |
| InChI |
InChI=1S/C26H24N2O5/c1-16-6-5-7-17(2)24(16)27-26(30)25-19-8-3-4-9-20(19)31-14-23(29)28(25)13-18-10-11-21-22(12-18)33-15-32-21/h3-12,25H,13-15H2,1-2H3,(H,27,30) |
| InChIKey |
HBFYZVCOJADKGF-UHFFFAOYSA-N |
| Molecular Weight |
444.487 g/mol |
| SMILES |
C1OC=2C(C(N(C1=O)CC1=CC=C3OCOC3=C1)C(=O)NC1=C(C=CC=C1C)C)=CC=CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941869 |
![4-(Benzo[D][1,3]dioxol-5-ylmethyl)-N-(2,6-dimethylphenyl)-3-oxo-2,3,4,5-tetrahydrobenzo[F][1,4]oxazepine-5-carboxamide](/api/spectrum/8UpVoKuOoSt/structure.png?h=300&w=458 "4-(Benzo[D][1,3]dioxol-5-ylmethyl)-N-(2,6-dimethylphenyl)-3-oxo-2,3,4,5-tetrahydrobenzo[F][1,4]oxazepine-5-carboxamide")
