| SpectraBase Spectrum ID |
2X6bLKXOoVD |
| Name |
4-(Benzo[D][1,3]dioxol-5-ylmethyl)-N-(tert-butyl)-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 |
396.168521876 u |
| Formula |
C22H24N2O5 |
| InChI |
InChI=1S/C22H24N2O5/c1-22(2,3)23-21(26)20-15-6-4-5-7-16(15)27-12-19(25)24(20)11-14-8-9-17-18(10-14)29-13-28-17/h4-10,20H,11-13H2,1-3H3,(H,23,26) |
| InChIKey |
CKUCLLDIODRNKL-UHFFFAOYSA-N |
| Molecular Weight |
396.443 g/mol |
| SMILES |
C1OC=2C(C(N(C1=O)CC1=CC=C3OCOC3=C1)C(=O)NC(C)(C)C)=CC=CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912789 |
![4-(Benzo[D][1,3]dioxol-5-ylmethyl)-N-(tert-butyl)-3-oxo-2,3,4,5-tetrahydrobenzo[F][1,4]oxazepine-5-carboxamide](/api/spectrum/2X6bLKXOoVD/structure.png?h=300&w=458 "4-(Benzo[D][1,3]dioxol-5-ylmethyl)-N-(tert-butyl)-3-oxo-2,3,4,5-tetrahydrobenzo[F][1,4]oxazepine-5-carboxamide")
