| SpectraBase Spectrum ID |
D2Wuli104wu |
| Name |
N-Benzyl-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 |
460.199822005 u |
| Formula |
C27H28N2O5 |
| InChI |
InChI=1S/C27H28N2O5/c1-32-23-13-12-19(16-24(23)33-2)14-15-29-25(30)18-34-22-11-7-6-10-21(22)26(29)27(31)28-17-20-8-4-3-5-9-20/h3-13,16,26H,14-15,17-18H2,1-2H3,(H,28,31) |
| InChIKey |
YTQYMMGMTWXWAS-UHFFFAOYSA-N |
| Molecular Weight |
460.530 g/mol |
| SMILES |
C1OC=2C(C(N(C1=O)CCC1=CC(=C(C=C1)OC)OC)C(=O)NCC1=CC=CC=C1)=CC=CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955131 |
![N-Benzyl-4-(3,4-dimethoxyphenethyl)-3-oxo-2,3,4,5-tetrahydrobenzo[F][1,4]oxazepine-5-carboxamide](/api/spectrum/D2Wuli104wu/structure.png?h=300&w=458 "N-Benzyl-4-(3,4-dimethoxyphenethyl)-3-oxo-2,3,4,5-tetrahydrobenzo[F][1,4]oxazepine-5-carboxamide")
