SpectraBase Compound ID | BZW0WsllZIu |
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InChI | InChI=1S/C9H11BrN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13) |
InChIKey | GSNZNZUNAJCHDO-UHFFFAOYSA-N |
Mol Weight | 243.1 g/mol |
Molecular Formula | C9H11BrN2O |
Exact Mass | 242.005476 g/mol |
SpectraBase Spectrum ID | 3yxoQTRrr6E |
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Name | 3-(p-Bromophenyl)-1,1-dimethylurea |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 242.005475981 u |
Formula | C9H11BrN2O |
InChI | InChI=1S/C9H11BrN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13) |
InChIKey | GSNZNZUNAJCHDO-UHFFFAOYSA-N |
Molecular Weight | 243.104 g/mol |
SMILES | N(C1=CC=C(C=C1)Br)C(N(C)C)=O |
Spectrum/Structure Validation Score (Raman) | 0.785129 |