| SpectraBase Compound ID | DpywAv7W6bC |
|---|---|
| InChI | InChI=1S/C9H11Br/c1-8-2-4-9(5-3-8)6-7-10/h2-5H,6-7H2,1H3 |
| InChIKey | IAZCKSJRRRXZEY-UHFFFAOYSA-N |
| Mol Weight | 199.09 g/mol |
| Molecular Formula | C9H11Br |
| Exact Mass | 198.004413 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BN8cRGkb02X |
|---|---|
| Name | Benzene, 1-(2-bromoethyl)-4-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.004413354 u |
| Formula | C9H11Br |
| InChI | InChI=1S/C9H11Br/c1-8-2-4-9(5-3-8)6-7-10/h2-5H,6-7H2,1H3 |
| InChIKey | IAZCKSJRRRXZEY-UHFFFAOYSA-N |
| Molecular Weight | 199.091 g/mol |
| SMILES | C1(=CC=C(C=C1)C)CCBr |
| Spectrum/Structure Validation Score (Raman) | 0.97107 |