| SpectraBase Compound ID | F6FRmQF34Vu |
|---|---|
| InChI | InChI=1S/C8H10BrN/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8H,6,10H2 |
| InChIKey | OSRUUFPMIIENQO-UHFFFAOYSA-N |
| Mol Weight | 200.08 g/mol |
| Molecular Formula | C8H10BrN |
| Exact Mass | 198.999662 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | E3sQfS6tJ68 |
|---|---|
| Name | .beta.-Bromobenzeneethanamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.999662326 u |
| Formula | C8H10BrN |
| InChI | InChI=1S/C8H10BrN/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8H,6,10H2 |
| InChIKey | OSRUUFPMIIENQO-UHFFFAOYSA-N |
| Molecular Weight | 200.079 g/mol |
| SMILES | C1=C(C=CC=C1)C(CN)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.987625 |