| SpectraBase Compound ID | CCTWI17krdd |
|---|---|
| InChI | InChI=1S/C14H11Br/c1-11(12-7-3-2-4-8-12)13-9-5-6-10-14(13)15/h2-10H,1H2 |
| InChIKey | WLUVEDDIAAOWKU-UHFFFAOYSA-N |
| Mol Weight | 259.15 g/mol |
| Molecular Formula | C14H11Br |
| Exact Mass | 258.004413 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7I4AIsVFsDf |
|---|---|
| Name | 1-Bromanyl-2-(1-phenylethenyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.004413354 u |
| Formula | C14H11Br |
| InChI | InChI=1S/C14H11Br/c1-11(12-7-3-2-4-8-12)13-9-5-6-10-14(13)15/h2-10H,1H2 |
| InChIKey | WLUVEDDIAAOWKU-UHFFFAOYSA-N |
| Molecular Weight | 259.146 g/mol |
| SMILES | C(=C)(C=1C=CC=CC1)C=1C(=CC=CC1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932707 |