| SpectraBase Compound ID | Cf0XZPrRSTi |
|---|---|
| InChI | InChI=1S/C10H11Br/c1-8-5-3-4-6-10(8)9(2)7-11/h3-7H,1-2H3/b9-7- |
| InChIKey | UPEXNKNBWRLMOO-CLFYSBASSA-N |
| Mol Weight | 211.1 g/mol |
| Molecular Formula | C10H11Br |
| Exact Mass | 210.004413 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DDxcXbKiMj0 |
|---|---|
| Name | Benzene, 1-(2-bromo-1-methylethenyl)-2-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.004413354 u |
| Formula | C10H11Br |
| InChI | InChI=1S/C10H11Br/c1-8-5-3-4-6-10(8)9(2)7-11/h3-7H,1-2H3/b9-7- |
| InChIKey | UPEXNKNBWRLMOO-CLFYSBASSA-N |
| Molecular Weight | 211.102 g/mol |
| SMILES | C=1(\C(=C/Br)C)C(C)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932622 |