| SpectraBase Compound ID | BSbWhZiqEXx |
|---|---|
| InChI | InChI=1S/C10H7BrO/c11-7-3-6-9-4-1-2-5-10(9)8-12/h1-2,4-5,8H,6H2 |
| InChIKey | YPDUJUFSSKXYJX-UHFFFAOYSA-N |
| Mol Weight | 223.07 g/mol |
| Molecular Formula | C10H7BrO |
| Exact Mass | 221.968028 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 38Cbb3SmV32 |
|---|---|
| Name | 2-(3-Bromoprop-2-ynyl)benzaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.968027844 u |
| Formula | C10H7BrO |
| InChI | InChI=1S/C10H7BrO/c11-7-3-6-9-4-1-2-5-10(9)8-12/h1-2,4-5,8H,6H2 |
| InChIKey | YPDUJUFSSKXYJX-UHFFFAOYSA-N |
| Molecular Weight | 223.069 g/mol |
| SMILES | C(=O)C=1C=CC=CC1CC#CBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932983 |