| SpectraBase Compound ID | BxnGFMbtX2U |
|---|---|
| InChI | InChI=1S/C9H10BrNO2/c10-6-2-1-3-7-11-8(12)4-5-9(11)13/h1,3-5,7H2 |
| InChIKey | NGVQKCVYDOYVMU-UHFFFAOYSA-N |
| Mol Weight | 244.09 g/mol |
| Molecular Formula | C9H10BrNO2 |
| Exact Mass | 242.989492 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | wK8xQxr4df |
|---|---|
| Name | N-(5-Bromopent-4-ynyl)-succinimide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.989491564 u |
| Formula | C9H10BrNO2 |
| InChI | InChI=1S/C9H10BrNO2/c10-6-2-1-3-7-11-8(12)4-5-9(11)13/h1,3-5,7H2 |
| InChIKey | NGVQKCVYDOYVMU-UHFFFAOYSA-N |
| Molecular Weight | 244.088 g/mol |
| SMILES | C1(N(C(CC1)=O)CCCC#CBr)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956553 |