| SpectraBase Compound ID | FNa1WCl4QB1 |
|---|---|
| InChI | InChI=1S/C13H11Br/c1-9(2)10-7-8-13(14)12-6-4-3-5-11(10)12/h3-8H,1H2,2H3 |
| InChIKey | JHJSMLVFFVJSMS-UHFFFAOYSA-N |
| Mol Weight | 247.13 g/mol |
| Molecular Formula | C13H11Br |
| Exact Mass | 246.004413 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | D6X8NFlv2uQ |
|---|---|
| Name | 1-Bromo-4-isopropenylnaphthalene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.004413354 u |
| Formula | C13H11Br |
| InChI | InChI=1S/C13H11Br/c1-9(2)10-7-8-13(14)12-6-4-3-5-11(10)12/h3-8H,1H2,2H3 |
| InChIKey | JHJSMLVFFVJSMS-UHFFFAOYSA-N |
| Molecular Weight | 247.135 g/mol |
| SMILES | C=12C=CC=CC1C(=CC=C2Br)C(=C)C |
| Spectrum/Structure Validation Score (Raman) | 0.980724 |