| SpectraBase Compound ID | BCg3Zd2YqMd |
|---|---|
| InChI | InChI=1S/C8H9BrO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3 |
| InChIKey | GIGRWGTZFONRKA-UHFFFAOYSA-N |
| Mol Weight | 201.06 g/mol |
| Molecular Formula | C8H9BrO |
| Exact Mass | 199.983678 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9PaU21qSnTJ |
|---|---|
| Name | 4-Methoxybenzylbromid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.983677909 u |
| Formula | C8H9BrO |
| InChI | InChI=1S/C8H9BrO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3 |
| InChIKey | GIGRWGTZFONRKA-UHFFFAOYSA-N |
| Molecular Weight | 201.063 g/mol |
| SMILES | C(Br)C1=CC=C(OC)C=C1 |
| Spectrum/Structure Validation Score (Raman) | 0.968316 |