| SpectraBase Compound ID | EiWnNcmUP4r |
|---|---|
| InChI | InChI=1S/C11H15Br/c1-4-10-5-8(2)11(7-12)9(3)6-10/h5-6H,4,7H2,1-3H3 |
| InChIKey | OGKKMTHPCMRTKH-UHFFFAOYSA-N |
| Mol Weight | 227.14 g/mol |
| Molecular Formula | C11H15Br |
| Exact Mass | 226.035713 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3QcMejFpwvD |
|---|---|
| Name | Benzene, 2-(bromomethyl)-5-ethyl-1,3-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.035713483 u |
| Formula | C11H15Br |
| InChI | InChI=1S/C11H15Br/c1-4-10-5-8(2)11(7-12)9(3)6-10/h5-6H,4,7H2,1-3H3 |
| InChIKey | OGKKMTHPCMRTKH-UHFFFAOYSA-N |
| Molecular Weight | 227.145 g/mol |
| SMILES | C=1(C(=CC(=CC1C)CC)C)CBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960002 |