| SpectraBase Compound ID | G2nc1hBGBsE |
|---|---|
| InChI | InChI=1S/C10H13Br/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4H2,1H3 |
| InChIKey | BRGVKVZXDWGJBX-UHFFFAOYSA-N |
| Mol Weight | 213.12 g/mol |
| Molecular Formula | C10H13Br |
| Exact Mass | 212.020063 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CJ8kLuhIMA4 |
|---|---|
| Name | 1-Bromo-4-butylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.020063419 u |
| Formula | C10H13Br |
| InChI | InChI=1S/C10H13Br/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4H2,1H3 |
| InChIKey | BRGVKVZXDWGJBX-UHFFFAOYSA-N |
| Molecular Weight | 213.118 g/mol |
| SMILES | C=1(Br)C=CC(=CC1)CCCC |
| Spectrum/Structure Validation Score (Raman) | 0.974492 |