| SpectraBase Compound ID | FVggTHmn5pa |
|---|---|
| InChI | InChI=1S/C10H12BrNO/c1-2-10(13)12-7-8-4-3-5-9(11)6-8/h3-6H,2,7H2,1H3,(H,12,13) |
| InChIKey | LORDZAOXOHCULV-UHFFFAOYSA-N |
| Mol Weight | 242.12 g/mol |
| Molecular Formula | C10H12BrNO |
| Exact Mass | 241.010227 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BtTTCwZ5OnJ |
|---|---|
| Name | N-(3-Bromobenzyl)propanamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.010227009 u |
| Formula | C10H12BrNO |
| InChI | InChI=1S/C10H12BrNO/c1-2-10(13)12-7-8-4-3-5-9(11)6-8/h3-6H,2,7H2,1H3,(H,12,13) |
| InChIKey | LORDZAOXOHCULV-UHFFFAOYSA-N |
| Molecular Weight | 242.116 g/mol |
| SMILES | C1(Br)=CC(=CC=C1)CNC(=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.869655 |