| SpectraBase Spectrum ID |
AwRwP9RzE0Z |
| Name |
Tert-butyl 4-oxo-3-phenyl-octahydropyrrolo[2,3-C]azepine-7-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.194342702 u |
| Formula |
C19H26N2O3 |
| InChI |
InChI=1S/C19H26N2O3/c1-19(2,3)24-18(23)21-10-9-16(22)17-14(11-20-15(17)12-21)13-7-5-4-6-8-13/h4-8,14-15,17,20H,9-12H2,1-3H3 |
| InChIKey |
KXOLUHUGZLWYPO-UHFFFAOYSA-N |
| Molecular Weight |
330.428 g/mol |
| SMILES |
C1CC(C2C(C3=CC=CC=C3)CNC2CN1C(OC(C)(C)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.818014 |
![Tert-butyl 4-oxo-3-phenyl-octahydropyrrolo[2,3-C]azepine-7-carboxylate](/api/spectrum/AwRwP9RzE0Z/structure.png?h=300&w=458 "Tert-butyl 4-oxo-3-phenyl-octahydropyrrolo[2,3-C]azepine-7-carboxylate")
