| SpectraBase Spectrum ID |
1z6b76F6n1T |
| Name |
4-Benzyl-N-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 |
352.178692638 u |
| Formula |
C21H24N2O3 |
| InChI |
InChI=1S/C21H24N2O3/c1-2-3-13-22-21(25)20-17-11-7-8-12-18(17)26-15-19(24)23(20)14-16-9-5-4-6-10-16/h4-12,20H,2-3,13-15H2,1H3,(H,22,25) |
| InChIKey |
PSPVXBNQXJOZAJ-UHFFFAOYSA-N |
| Molecular Weight |
352.434 g/mol |
| SMILES |
C1OC=2C(C(N(C1=O)CC1=CC=CC=C1)C(=O)NCCCC)=CC=CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965822 |
![4-Benzyl-N-butyl-3-oxo-2,3,4,5-tetrahydrobenzo[F][1,4]oxazepine-5-carboxamide](/api/spectrum/1z6b76F6n1T/structure.png?h=300&w=458 "4-Benzyl-N-butyl-3-oxo-2,3,4,5-tetrahydrobenzo[F][1,4]oxazepine-5-carboxamide")
