| SpectraBase Compound ID | EVQQssj08UI |
|---|---|
| InChI | InChI=1S/C10H12BrNO/c1-8(11)10(13)12(2)9-6-4-3-5-7-9/h3-8H,1-2H3 |
| InChIKey | YSZCCVBDAOBVPN-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 | 60Sni12uKdT |
|---|---|
| Name | 2-Bromo-N-methyl-N-phenylpropanamide |
| 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/c1-8(11)10(13)12(2)9-6-4-3-5-7-9/h3-8H,1-2H3 |
| InChIKey | YSZCCVBDAOBVPN-UHFFFAOYSA-N |
| Molecular Weight | 242.116 g/mol |
| SMILES | C(C(C)Br)(=O)N(C=1C=CC=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938061 |