![N-[p-Bromophenylcarbamoyl]aziridine](/api/spectrum/7ROF4OL6o2F/structure.png?h=300&w=458 "N-[p-Bromophenylcarbamoyl]aziridine")
| SpectraBase Compound ID | DtSnqihPJSV |
|---|---|
| InChI | InChI=1S/C9H9BrN2O/c10-7-1-3-8(4-2-7)11-9(13)12-5-6-12/h1-4H,5-6H2,(H,11,13) |
| InChIKey | LGAIUHMJZIZUBA-UHFFFAOYSA-N |
| Mol Weight | 241.09 g/mol |
| Molecular Formula | C9H9BrN2O |
| Exact Mass | 239.989826 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7ROF4OL6o2F |
|---|---|
| Name | N-[p-Bromophenylcarbamoyl]aziridine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.989825917 u |
| Formula | C9H9BrN2O |
| InChI | InChI=1S/C9H9BrN2O/c10-7-1-3-8(4-2-7)11-9(13)12-5-6-12/h1-4H,5-6H2,(H,11,13) |
| InChIKey | LGAIUHMJZIZUBA-UHFFFAOYSA-N |
| Molecular Weight | 241.088 g/mol |
| SMILES | C1(Br)=CC=C(C=C1)NC(=O)N1CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950347 |