| SpectraBase Spectrum ID |
D2rTnnZ6sNQ |
| Name |
Ethyl 2,3-dioxo-2,5,6,7,8,9-hexahydro-3H-pyrrolo[1,2-A]azepine-1-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
237.100107963 u |
| Formula |
C12H15NO4 |
| InChI |
InChI=1S/C12H15NO4/c1-2-17-12(16)9-8-6-4-3-5-7-13(8)11(15)10(9)14/h2-7H2,1H3 |
| InChIKey |
SJCUZPMOLXLLQC-UHFFFAOYSA-N |
| Molecular Weight |
237.255 g/mol |
| SMILES |
C1(=C2N(CCCCC2)C(C1=O)=O)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961159 |
![Ethyl 2,3-dioxo-2,5,6,7,8,9-hexahydro-3H-pyrrolo[1,2-a]azepine-1-carboxylate](/api/spectrum/D2rTnnZ6sNQ/structure.png?h=300&w=458 "Ethyl 2,3-dioxo-2,5,6,7,8,9-hexahydro-3H-pyrrolo[1,2-a]azepine-1-carboxylate")
