| SpectraBase Spectrum ID |
7jmUPeJpXWp |
| Name |
N-(Tert-butyl)-4-(3,4-dimethoxyphenethyl)-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 |
426.215472069 u |
| Formula |
C24H30N2O5 |
| InChI |
InChI=1S/C24H30N2O5/c1-24(2,3)25-23(28)22-17-8-6-7-9-18(17)31-15-21(27)26(22)13-12-16-10-11-19(29-4)20(14-16)30-5/h6-11,14,22H,12-13,15H2,1-5H3,(H,25,28) |
| InChIKey |
DGFXOLOXUGQQDM-UHFFFAOYSA-N |
| Molecular Weight |
426.513 g/mol |
| SMILES |
C1OC=2C(C(N(C1=O)CCC1=CC(=C(C=C1)OC)OC)C(=O)NC(C)(C)C)=CC=CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941201 |
![N-(Tert-butyl)-4-(3,4-dimethoxyphenethyl)-3-oxo-2,3,4,5-tetrahydrobenzo[F][1,4]oxazepine-5-carboxamide](/api/spectrum/7jmUPeJpXWp/structure.png?h=300&w=458 "N-(Tert-butyl)-4-(3,4-dimethoxyphenethyl)-3-oxo-2,3,4,5-tetrahydrobenzo[F][1,4]oxazepine-5-carboxamide")
