SpectraBase Compound ID | K64XAPX7tOw |
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InChI | InChI=1S/C9H10BrN/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,11H,1,7H2 |
InChIKey | LWQICASDSYKVPZ-UHFFFAOYSA-N |
Mol Weight | 212.09 g/mol |
Molecular Formula | C9H10BrN |
Exact Mass | 210.999662 g/mol |
SpectraBase Spectrum ID | EgstYadNLYR |
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Name | Aniline, N-(2-bromoallyl)- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 210.999662326 u |
Formula | C9H10BrN |
InChI | InChI=1S/C9H10BrN/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,11H,1,7H2 |
InChIKey | LWQICASDSYKVPZ-UHFFFAOYSA-N |
Molecular Weight | 212.090 g/mol |
SMILES | C(NC1=CC=CC=C1)C(Br)=C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.898876 |