| SpectraBase Spectrum ID |
1mrgaPt3BDg |
| Name |
4-(3,4-Dimethoxyphenethyl)-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 |
474.215472069 u |
| Formula |
C28H30N2O5 |
| InChI |
InChI=1S/C28H30N2O5/c1-18-8-7-9-19(2)26(18)29-28(32)27-21-10-5-6-11-22(21)35-17-25(31)30(27)15-14-20-12-13-23(33-3)24(16-20)34-4/h5-13,16,27H,14-15,17H2,1-4H3,(H,29,32) |
| InChIKey |
GULHDLOYLHRDJV-UHFFFAOYSA-N |
| Molecular Weight |
474.557 g/mol |
| SMILES |
C1OC=2C(C(N(C1=O)CCC1=CC(=C(C=C1)OC)OC)C(=O)NC1=C(C=CC=C1C)C)=CC=CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935368 |
![4-(3,4-Dimethoxyphenethyl)-N-(2,6-dimethylphenyl)-3-oxo-2,3,4,5-tetrahydrobenzo[F][1,4]oxazepine-5-carboxamide](/api/spectrum/1mrgaPt3BDg/structure.png?h=300&w=458 "4-(3,4-Dimethoxyphenethyl)-N-(2,6-dimethylphenyl)-3-oxo-2,3,4,5-tetrahydrobenzo[F][1,4]oxazepine-5-carboxamide")
