| SpectraBase Compound ID | KCRQX4v40qq |
|---|---|
| InChI | InChI=1S/C10H9Br/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,5,9H2 |
| InChIKey | VEPIUUZDLXQFMV-UHFFFAOYSA-N |
| Mol Weight | 209.09 g/mol |
| Molecular Formula | C10H9Br |
| Exact Mass | 207.988763 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1TPhR1HdC7T |
|---|---|
| Name | 4-Bromo-1-phenyl-1-butyne |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.988763290 u |
| Formula | C10H9Br |
| InChI | InChI=1S/C10H9Br/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,5,9H2 |
| InChIKey | VEPIUUZDLXQFMV-UHFFFAOYSA-N |
| Molecular Weight | 209.086 g/mol |
| SMILES | C=1C(=CC=CC1)C#CCCBr |
| Spectrum/Structure Validation Score (Raman) | 0.770647 |